N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide

C16H27N5O — CID 119841173

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1nnc2n1CCC2
InChIInChI=1S/C16H27N5O/c1-11(13-5-3-7-17-10-13)9-15(22)18-12(2)16-20-19-14-6-4-8-21(14)16/h11-13,17H,3-10H2,1-2H3,(H,18,22)
InChIKeyQQEPQJXDJOPJSH-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.43
Rot. Bonds5

About N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide (PubChem CID 119841173) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide
PubChem CID119841173
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1nnc2n1CCC2
InChIInChI=1S/C16H27N5O/c1-11(13-5-3-7-17-10-13)9-15(22)18-12(2)16-20-19-14-6-4-8-21(14)16/h11-13,17H,3-10H2,1-2H3,(H,18,22)
InChIKeyQQEPQJXDJOPJSH-UHFFFAOYSA-N
XLogP1.43
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 63007072
3-(aminomethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pentanamide
CID 81075181
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
CID 115738511
3-piperidin-3-yl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]butanamide;hydrochloride
CID 119680960
N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043605
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404285
3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571
N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043690
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119898116

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide (CID 119841173) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide is CC(NC(=O)CC(C)C1CCCNC1)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is QQEPQJXDJOPJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-11(13-5-3-7-17-10-13)9-15(22)18-12(2)16-20-19-14-6-4-8-21(14)16/h11-13,17H,3-10H2,1-2H3,(H,18,22).
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 305.43 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119841173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).