N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide

C19H28N2O — CID 123232157

IUPACN-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide
SMILESO=CN[C@@H]1CC[C@H](CN2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H28N2O/c22-15-20-19-7-6-18(13-19)14-21-10-8-17(9-11-21)12-16-4-2-1-3-5-16/h1-5,15,17-19H,6-14H2,(H,20,22)/t18-,19+/m0/s1
InChIKeyCWHLNXUUWCTUMS-RBUKOAKNSA-N
MW300.45 g/mol
LogP2.86
Rot. Bonds6

About N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide

N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide (PubChem CID 123232157) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide
PubChem CID123232157
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide
SMILESO=CN[C@@H]1CC[C@H](CN2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H28N2O/c22-15-20-19-7-6-18(13-19)14-21-10-8-17(9-11-21)12-16-4-2-1-3-5-16/h1-5,15,17-19H,6-14H2,(H,20,22)/t18-,19+/m0/s1
InChIKeyCWHLNXUUWCTUMS-RBUKOAKNSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine
CID 162283808
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine
CID 58110987
4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine
CID 142080658
cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 131851979
2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62610935
2-[(4-benzylpiperidin-1-yl)methyl]cyclopentan-1-ol
CID 62610936
cyclopentylmethylbenzene;formamide
CID 174870384
dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)
CID 162364859
1-[(3-benzylcyclobutyl)methyl]piperazine
CID 173344354
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide?
The IUPAC name of N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide (CID 123232157) is N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide.
What is the SMILES notation for N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide?
The canonical SMILES for N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide is O=CN[C@@H]1CC[C@H](CN2CCC(Cc3ccccc3)CC2)C1.
What is the InChIKey of N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide?
The InChIKey is CWHLNXUUWCTUMS-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H28N2O/c22-15-20-19-7-6-18(13-19)14-21-10-8-17(9-11-21)12-16-4-2-1-3-5-16/h1-5,15,17-19H,6-14H2,(H,20,22)/t18-,19+/m0/s1.
What are the key properties of N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide?
N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide has a molecular weight of 300.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide is sourced from PubChem (CID 123232157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).