N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide

C18H30N4O — CID 42452936

IUPACN-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)N[C@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C18H30N4O/c23-18(10-14-22-13-6-11-19-22)20-16-7-5-12-21(15-16)17-8-3-1-2-4-9-17/h6,11,13,16-17H,1-5,7-10,12,14-15H2,(H,20,23)/t16-/m0/s1
InChIKeyKQNAMVWUKANJCD-INIZCTEOSA-N
MW318.46 g/mol
LogP2.58
Rot. Bonds5

About N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide

N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide (PubChem CID 42452936) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide
PubChem CID42452936
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)N[C@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C18H30N4O/c23-18(10-14-22-13-6-11-19-22)20-16-7-5-12-21(15-16)17-8-3-1-2-4-9-17/h6,11,13,16-17H,1-5,7-10,12,14-15H2,(H,20,23)/t16-/m0/s1
InChIKeyKQNAMVWUKANJCD-INIZCTEOSA-N
XLogP2.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-pyrazol-1-ylpropanamide
CID 60706933
N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95147558
N-(1-cycloheptylpiperidin-3-yl)-3-(1,2-oxazolidin-2-yl)propanamide
CID 45247907
N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide
CID 45243625
N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide
CID 56785441
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 45198986
N-(1-cyclohexylpiperidin-3-yl)-2-pyridin-3-ylacetamide
CID 118788376
N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide
CID 54951795
N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
CID 42567206
N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide
CID 86904326
N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 92578320
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45214329

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide (CID 42452936) is N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)N[C@H]1CCCN(C2CCCCCC2)C1.
What is the InChIKey of N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide?
The InChIKey is KQNAMVWUKANJCD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30N4O/c23-18(10-14-22-13-6-11-19-22)20-16-7-5-12-21(15-16)17-8-3-1-2-4-9-17/h6,11,13,16-17H,1-5,7-10,12,14-15H2,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide?
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide has a molecular weight of 318.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 42452936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).