N-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide

C17H30N6O — CID 95225748

IUPACN-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)NC[C@@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C17H30N6O/c24-17(9-11-23-14-19-20-21-23)18-12-15-6-5-10-22(13-15)16-7-3-1-2-4-8-16/h14-16H,1-13H2,(H,18,24)/t15-/m0/s1
InChIKeyQTDKPDXVKPAKPN-HNNXBMFYSA-N
MW334.47 g/mol
LogP1.61
Rot. Bonds6

About N-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide

N-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 95225748) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide
PubChem CID95225748
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC NameN-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)NC[C@@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C17H30N6O/c24-17(9-11-23-14-19-20-21-23)18-12-15-6-5-10-22(13-15)16-7-3-1-2-4-8-16/h14-16H,1-13H2,(H,18,24)/t15-/m0/s1
InChIKeyQTDKPDXVKPAKPN-HNNXBMFYSA-N
XLogP1.61
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 125178566
5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid
CID 125441266
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide
CID 122559584
3-(3-chloro-1,2-oxazol-5-yl)-N-[[(3S)-1-cyclopentylpiperidin-3-yl]methyl]propanamide
CID 95227066
5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 121494274
N-[(1-cyclohexylpiperidin-3-yl)methyl]ethanamine
CID 63849672
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
CID 125446366
2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 42452936
N-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-3-(tetrazol-1-yl)propanamide
CID 97190743
N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 42189803
N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
CID 119260132

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide (CID 95225748) is N-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide is O=C(CCn1cnnn1)NC[C@@H]1CCCN(C2CCCCCC2)C1.
What is the InChIKey of N-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is QTDKPDXVKPAKPN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30N6O/c24-17(9-11-23-14-19-20-21-23)18-12-15-6-5-10-22(13-15)16-7-3-1-2-4-8-16/h14-16H,1-13H2,(H,18,24)/t15-/m0/s1.
What are the key properties of N-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide?
N-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 334.47 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-cycloheptylpiperidin-3-yl]methyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 95225748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).