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

C19H27ClFN3O — CID 170581028

IUPAC4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-fluoropiperidine-1-carboxamide
SMILESNCC1(F)CCN(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)CC1
InChIInChI=1S/C19H27ClFN3O/c20-16-7-3-6-15(12-16)17(14-4-1-2-5-14)23-18(25)24-10-8-19(21,13-22)9-11-24/h3,6-7,12,14,17H,1-2,4-5,8-11,13,22H2,(H,23,25)/t17-/m0/s1
InChIKeyJUFRXQSAPUFJLW-KRWDZBQOSA-N
MW367.90 g/mol
LogP4.04
Rot. Bonds4

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

4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-fluoropiperidine-1-carboxamide (PubChem CID 170581028) has the molecular formula C19H27ClFN3O and a molecular weight of 367.90 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-fluoropiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-fluoropiperidine-1-carboxamide
PubChem CID170581028
Molecular FormulaC19H27ClFN3O
Molecular Weight367.90 g/mol
Exact Mass367.18
IUPAC Name4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-fluoropiperidine-1-carboxamide
SMILESNCC1(F)CCN(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)CC1
InChIInChI=1S/C19H27ClFN3O/c20-16-7-3-6-15(12-16)17(14-4-1-2-5-14)23-18(25)24-10-8-19(21,13-22)9-11-24/h3,6-7,12,14,17H,1-2,4-5,8-11,13,22H2,(H,23,25)/t17-/m0/s1
InChIKeyJUFRXQSAPUFJLW-KRWDZBQOSA-N
XLogP4.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 54.04
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-fluoropiperidine-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-fluoropiperidine-1-carboxamide (CID 170581028) is 4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-fluoropiperidine-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-fluoropiperidine-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-fluoropiperidine-1-carboxamide is NCC1(F)CCN(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-fluoropiperidine-1-carboxamide?
The InChIKey is JUFRXQSAPUFJLW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27ClFN3O/c20-16-7-3-6-15(12-16)17(14-4-1-2-5-14)23-18(25)24-10-8-19(21,13-22)9-11-24/h3,6-7,12,14,17H,1-2,4-5,8-11,13,22H2,(H,23,25)/t17-/m0/s1.
What are the key properties of 4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-fluoropiperidine-1-carboxamide?
4-(aminomethyl)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-fluoropiperidine-1-carboxamide has a molecular weight of 367.90 g/mol, XLogP of 4.04, 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-fluoropiperidine-1-carboxamide is sourced from PubChem (CID 170581028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).