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

C17H29N5O — CID 26412986

IUPACN-[(3S)-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-/m0/s1
InChIKeyWHQPAJWQZHWONM-HNNXBMFYSA-N
MW319.45 g/mol
LogP1.97
Rot. Bonds5

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

N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 26412986) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID26412986
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-[(3S)-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-/m0/s1
InChIKeyWHQPAJWQZHWONM-HNNXBMFYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide (CID 26412986) is N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(3S)-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-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is WHQPAJWQZHWONM-HNNXBMFYSA-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-/m0/s1.
What are the key properties of N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(3S)-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-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 26412986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).