N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride

C21H33ClN2O2 — CID 154902204

IUPACN-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride
SMILESCl.O=C(CCCCc1ccccc1)NC(C1CCNCC1)C1CC(O)C1
InChIInChI=1S/C21H32N2O2.ClH/c24-19-14-18(15-19)21(17-10-12-22-13-11-17)23-20(25)9-5-4-8-16-6-2-1-3-7-16;/h1-3,6-7,17-19,21-22,24H,4-5,8-15H2,(H,23,25);1H
InChIKeyCPMGILMCNIIHCO-UHFFFAOYSA-N
MW380.96 g/mol
LogP3.08
Rot. Bonds8

About N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride

N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride (PubChem CID 154902204) has the molecular formula C21H33ClN2O2 and a molecular weight of 380.96 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride
PubChem CID154902204
Molecular FormulaC21H33ClN2O2
Molecular Weight380.96 g/mol
Exact Mass380.22
IUPAC NameN-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride
SMILESCl.O=C(CCCCc1ccccc1)NC(C1CCNCC1)C1CC(O)C1
InChIInChI=1S/C21H32N2O2.ClH/c24-19-14-18(15-19)21(17-10-12-22-13-11-17)23-20(25)9-5-4-8-16-6-2-1-3-7-16;/h1-3,6-7,17-19,21-22,24H,4-5,8-15H2,(H,23,25);1H
InChIKeyCPMGILMCNIIHCO-UHFFFAOYSA-N
XLogP3.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.96
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-phenyl-N-piperidin-4-ylhexanamide
CID 154665785
2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide
CID 91780613
1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea
CID 36509029
3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid
CID 81361645
N-(azepan-4-yl)-4-phenylbutanamide
CID 105059135
6-amino-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]pyridine-3-carboxamide;dihydrochloride
CID 154903478
N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide
CID 65189008
N-(1,4-diphenylbutyl)piperidine-4-carboxamide
CID 119274203
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625
N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 59924200
N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-6-methoxypyridine-3-carboxamide
CID 91788122
N-(3-phenylpropyl)-2-piperidin-4-ylacetamide
CID 60905850

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride?
The IUPAC name of N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride (CID 154902204) is N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride is Cl.O=C(CCCCc1ccccc1)NC(C1CCNCC1)C1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride?
The InChIKey is CPMGILMCNIIHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2.ClH/c24-19-14-18(15-19)21(17-10-12-22-13-11-17)23-20(25)9-5-4-8-16-6-2-1-3-7-16;/h1-3,6-7,17-19,21-22,24H,4-5,8-15H2,(H,23,25);1H.
What are the key properties of N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride?
N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride has a molecular weight of 380.96 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride is sourced from PubChem (CID 154902204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).