4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride

C18H29Cl2N7O — CID 120938497

IUPAC4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride
SMILESC[C@@H](NC(=O)C1(n2cccn2)CCNCC1)c1nnc2n1CCCCC2.Cl.Cl
InChIInChI=1S/C18H27N7O.2ClH/c1-14(16-23-22-15-6-3-2-4-12-24(15)16)21-17(26)18(7-10-19-11-8-18)25-13-5-9-20-25;;/h5,9,13-14,19H,2-4,6-8,10-12H2,1H3,(H,21,26);2*1H/t14-;;/m1../s1
InChIKeyJAVKMLPIPPUJKI-FMOMHUKBSA-N
MW430.38 g/mol
LogP2.00
Rot. Bonds4

About 4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride

4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 120938497) has the molecular formula C18H29Cl2N7O and a molecular weight of 430.38 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID120938497
Molecular FormulaC18H29Cl2N7O
Molecular Weight430.38 g/mol
Exact Mass429.18
IUPAC Name4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride
SMILESC[C@@H](NC(=O)C1(n2cccn2)CCNCC1)c1nnc2n1CCCCC2.Cl.Cl
InChIInChI=1S/C18H27N7O.2ClH/c1-14(16-23-22-15-6-3-2-4-12-24(15)16)21-17(26)18(7-10-19-11-8-18)25-13-5-9-20-25;;/h5,9,13-14,19H,2-4,6-8,10-12H2,1H3,(H,21,26);2*1H/t14-;;/m1../s1
InChIKeyJAVKMLPIPPUJKI-FMOMHUKBSA-N
XLogP2.00
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

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CID 120928544
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CID 120918940
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924049
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924061
N-(1-cyclopropylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919574
N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918589
N-[1-(3,4-dimethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923777
4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120933172
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 63007072
2,2-difluoro-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 103515063
N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyridine-2-carboxamide
CID 95130586
N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride (CID 120938497) is 4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride is C[C@@H](NC(=O)C1(n2cccn2)CCNCC1)c1nnc2n1CCCCC2.Cl.Cl.
What is the InChIKey of 4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is JAVKMLPIPPUJKI-FMOMHUKBSA-N. The full InChI is InChI=1S/C18H27N7O.2ClH/c1-14(16-23-22-15-6-3-2-4-12-24(15)16)21-17(26)18(7-10-19-11-8-18)25-13-5-9-20-25;;/h5,9,13-14,19H,2-4,6-8,10-12H2,1H3,(H,21,26);2*1H/t14-;;/m1../s1.
What are the key properties of 4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride?
4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 430.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120938497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).