4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide

C19H35N7O — CID 30882220

IUPAC4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CCC(n2cc(CN3CCCNCC3)nn2)CC1
InChIInChI=1S/C19H35N7O/c1-15(2)16(3)21-19(27)25-10-5-18(6-11-25)26-14-17(22-23-26)13-24-9-4-7-20-8-12-24/h14-16,18,20H,4-13H2,1-3H3,(H,21,27)/t16-/m1/s1
InChIKeyHEKNATAUGQKNRP-MRXNPFEDSA-N
MW377.54 g/mol
LogP1.46
Rot. Bonds5

About 4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide

4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide (PubChem CID 30882220) has the molecular formula C19H35N7O and a molecular weight of 377.54 g/mol. Its IUPAC name is 4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide
PubChem CID30882220
Molecular FormulaC19H35N7O
Molecular Weight377.54 g/mol
Exact Mass377.29
IUPAC Name4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CCC(n2cc(CN3CCCNCC3)nn2)CC1
InChIInChI=1S/C19H35N7O/c1-15(2)16(3)21-19(27)25-10-5-18(6-11-25)26-14-17(22-23-26)13-24-9-4-7-20-8-12-24/h14-16,18,20H,4-13H2,1-3H3,(H,21,27)/t16-/m1/s1
InChIKeyHEKNATAUGQKNRP-MRXNPFEDSA-N
XLogP1.46
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

(2S)-2-[4-[4-(azepan-1-ylmethyl)triazol-1-yl]piperidin-1-yl]-N,N-dimethylpropan-1-amine
CID 95046771
2-[4-[4-(piperazin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine;bis(2,2,2-trifluoroacetic acid)
CID 154885284
1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 46994542
1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 65215067
4-(4-carbamoyltriazol-1-yl)-N-[(1S)-1-cyclopropyl-2-methylpropyl]piperidine-1-carboxamide
CID 164639896
N-propan-2-yl-4-[4-[1-(propan-2-ylamino)cyclopropyl]triazol-1-yl]piperidine-1-carboxamide
CID 156517320
4-[4-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)triazol-1-yl]-N-propylpiperidine-1-carboxamide
CID 31192314
[(1S,2R)-2-butylcyclopropyl]-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 171687025
[2-(methylamino)-3-pyridinyl]-[4-[4-[(3-methylpiperidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]methanone
CID 45202852
(2-methyloxolan-2-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 154890418
4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thian-4-yl)piperidine;bis(2,2,2-trifluoroacetic acid)
CID 154891868
1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one
CID 46982570

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide (CID 30882220) is 4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide is CC(C)[C@@H](C)NC(=O)N1CCC(n2cc(CN3CCCNCC3)nn2)CC1.
What is the InChIKey of 4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide?
The InChIKey is HEKNATAUGQKNRP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H35N7O/c1-15(2)16(3)21-19(27)25-10-5-18(6-11-25)26-14-17(22-23-26)13-24-9-4-7-20-8-12-24/h14-16,18,20H,4-13H2,1-3H3,(H,21,27)/t16-/m1/s1.
What are the key properties of 4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide?
4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide has a molecular weight of 377.54 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 30882220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).