4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-methylpiperidine-1-carboxamide

C20H30ClN3O — CID 170580715

IUPAC4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-methylpiperidine-1-carboxamide
SMILESCC1(CN)CCN(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)CC1
InChIInChI=1S/C20H30ClN3O/c1-20(14-22)9-11-24(12-10-20)19(25)23-18(15-5-2-3-6-15)16-7-4-8-17(21)13-16/h4,7-8,13,15,18H,2-3,5-6,9-12,14,22H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyHWSQINRHBVKYOJ-SFHVURJKSA-N
MW363.93 g/mol
LogP4.34
Rot. Bonds4

About 4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-methylpiperidine-1-carboxamide

4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-methylpiperidine-1-carboxamide (PubChem CID 170580715) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-methylpiperidine-1-carboxamide
PubChem CID170580715
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC Name4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-methylpiperidine-1-carboxamide
SMILESCC1(CN)CCN(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)CC1
InChIInChI=1S/C20H30ClN3O/c1-20(14-22)9-11-24(12-10-20)19(25)23-18(15-5-2-3-6-15)16-7-4-8-17(21)13-16/h4,7-8,13,15,18H,2-3,5-6,9-12,14,22H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyHWSQINRHBVKYOJ-SFHVURJKSA-N
XLogP4.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-methylpiperidine-1-carboxamide (CID 170580715) is 4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-methylpiperidine-1-carboxamide is CC1(CN)CCN(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is HWSQINRHBVKYOJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30ClN3O/c1-20(14-22)9-11-24(12-10-20)19(25)23-18(15-5-2-3-6-15)16-7-4-8-17(21)13-16/h4,7-8,13,15,18H,2-3,5-6,9-12,14,22H2,1H3,(H,23,25)/t18-/m0/s1.
What are the key properties of 4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-methylpiperidine-1-carboxamide?
4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 363.93 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 170580715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).