N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride

C16H31Cl2N5O — CID 119870176

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)Nc1ccn(CCN(C)C)n1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C16H29N5O.2ClH/c1-13(14-4-7-17-8-5-14)12-16(22)18-15-6-9-21(19-15)11-10-20(2)3;;/h6,9,13-14,17H,4-5,7-8,10-12H2,1-3H3,(H,18,19,22);2*1H
InChIKeyARLBQJOTLHRUNW-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.25
Rot. Bonds7

About N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride

N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119870176) has the molecular formula C16H31Cl2N5O and a molecular weight of 380.36 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119870176
Molecular FormulaC16H31Cl2N5O
Molecular Weight380.36 g/mol
Exact Mass379.19
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)Nc1ccn(CCN(C)C)n1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C16H29N5O.2ClH/c1-13(14-4-7-17-8-5-14)12-16(22)18-15-6-9-21(19-15)11-10-20(2)3;;/h6,9,13-14,17H,4-5,7-8,10-12H2,1-3H3,(H,18,19,22);2*1H
InChIKeyARLBQJOTLHRUNW-UHFFFAOYSA-N
XLogP2.25
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide
CID 119870177
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871275
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
CID 120565170
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119869173
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119862726
N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119728726
N-(1-ethylpyrazol-3-yl)-2-piperidin-4-ylacetamide
CID 66510151
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride
CID 119870128

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119870176) is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride is CC(CC(=O)Nc1ccn(CCN(C)C)n1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is ARLBQJOTLHRUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O.2ClH/c1-13(14-4-7-17-8-5-14)12-16(22)18-15-6-9-21(19-15)11-10-20(2)3;;/h6,9,13-14,17H,4-5,7-8,10-12H2,1-3H3,(H,18,19,22);2*1H.
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 380.36 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119870176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).