N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride

C20H31ClN2O — CID 44655127

IUPACN-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride
SMILESCC(C(=O)NCC1(c2ccccc2)CCCC1)[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C20H30N2O.ClH/c1-17(22-14-8-3-9-15-22)19(23)21-16-20(12-6-7-13-20)18-10-4-2-5-11-18;/h2,4-5,10-11,17H,3,6-9,12-16H2,1H3,(H,21,23);1H
InChIKeyIZIMQTUXNFYKRC-UHFFFAOYSA-N
MW350.93 g/mol
LogP-0.92
Rot. Bonds5

About N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride

N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride (PubChem CID 44655127) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride.

Molecular Properties

Compound NameN-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride
PubChem CID44655127
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC NameN-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride
SMILESCC(C(=O)NCC1(c2ccccc2)CCCC1)[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C20H30N2O.ClH/c1-17(22-14-8-3-9-15-22)19(23)21-16-20(12-6-7-13-20)18-10-4-2-5-11-18;/h2,4-5,10-11,17H,3,6-9,12-16H2,1H3,(H,21,23);1H
InChIKeyIZIMQTUXNFYKRC-UHFFFAOYSA-N
XLogP-0.92
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 6935034
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 14977491
N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide
CID 40566076
2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid
CID 122120195
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577
N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide
CID 7270600
2-methyl-N-[2-[[N'-methyl-N-[(1-phenylcyclopropyl)methyl]carbamimidoyl]amino]ethyl]propanamide
CID 111856360
1-[(1-phenylcyclobutyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 113214970
2-morpholin-4-yl-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110446352
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
2-amino-2-methyl-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480032

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride?
The IUPAC name of N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride (CID 44655127) is N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride.
What is the SMILES notation for N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride?
The canonical SMILES for N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride is CC(C(=O)NCC1(c2ccccc2)CCCC1)[NH+]1CCCCC1.[Cl-].
What is the InChIKey of N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride?
The InChIKey is IZIMQTUXNFYKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O.ClH/c1-17(22-14-8-3-9-15-22)19(23)21-16-20(12-6-7-13-20)18-10-4-2-5-11-18;/h2,4-5,10-11,17H,3,6-9,12-16H2,1H3,(H,21,23);1H.
What are the key properties of N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride?
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride has a molecular weight of 350.93 g/mol, XLogP of -0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride is sourced from PubChem (CID 44655127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).