N-[(3R)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide

C17H29N5O — CID 26412982

IUPACN-[(3R)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)N[C@@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C17H29N5O/c23-17(9-11-22-14-18-13-19-22)20-15-6-5-10-21(12-15)16-7-3-1-2-4-8-16/h13-16H,1-12H2,(H,20,23)/t15-/m1/s1
InChIKeyWHQPAJWQZHWONM-OAHLLOKOSA-N
MW319.45 g/mol
LogP1.97
Rot. Bonds5

About N-[(3R)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide

N-[(3R)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 26412982) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(3R)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3R)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID26412982
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-[(3R)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)N[C@@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C17H29N5O/c23-17(9-11-22-14-18-13-19-22)20-15-6-5-10-21(12-15)16-7-3-1-2-4-8-16/h13-16H,1-12H2,(H,20,23)/t15-/m1/s1
InChIKeyWHQPAJWQZHWONM-OAHLLOKOSA-N
XLogP1.97
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
3-pyrrolidin-1-yl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53504535
N-(1-ethylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53575276
N-(1-cyclopropylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53575294
N-(1-ethylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53587759
N-[2-(azepan-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71897383
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71898049
N-(2-acetamidoethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 72043970
ethyl 4-[((1R*,2S*)-2-{[3-(1H-1,2,4-triazol-1-yl)propanoyl]amino}cyclobutyl)amino]-1-piperidinecarboxylate
CID 56905788
N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide
CID 39903772
1-(1-Cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea
CID 126787239

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(3R)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide (CID 26412982) is N-[(3R)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(3R)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(3R)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)N[C@@H]1CCCN(C2CCCCCC2)C1.
What is the InChIKey of N-[(3R)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is WHQPAJWQZHWONM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N5O/c23-17(9-11-22-14-18-13-19-22)20-15-6-5-10-21(12-15)16-7-3-1-2-4-8-16/h13-16H,1-12H2,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(3R)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 319.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 26412982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).