N-[(1-phenylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C29H31N5O2 — CID 56668711

IUPACN-[(1-phenylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C29H31N5O2/c35-28(30-20-29(16-6-7-17-29)23-9-2-1-3-10-23)34-18-14-22(15-19-34)27-32-26(33-36-27)25-13-12-21-8-4-5-11-24(21)31-25/h1-5,8-13,22H,6-7,14-20H2,(H,30,35)
InChIKeyBRHTTYOSDMXFKQ-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.69
Rot. Bonds5

About N-[(1-phenylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-[(1-phenylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56668711) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[(1-phenylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56668711
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC NameN-[(1-phenylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C29H31N5O2/c35-28(30-20-29(16-6-7-17-29)23-9-2-1-3-10-23)34-18-14-22(15-19-34)27-32-26(33-36-27)25-13-12-21-8-4-5-11-24(21)31-25/h1-5,8-13,22H,6-7,14-20H2,(H,30,35)
InChIKeyBRHTTYOSDMXFKQ-UHFFFAOYSA-N
XLogP5.69
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(1-phenylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56668711) is N-[(1-phenylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1-phenylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1-phenylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NCC1(c2ccccc2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-[(1-phenylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is BRHTTYOSDMXFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c35-28(30-20-29(16-6-7-17-29)23-9-2-1-3-10-23)34-18-14-22(15-19-34)27-32-26(33-36-27)25-13-12-21-8-4-5-11-24(21)31-25/h1-5,8-13,22H,6-7,14-20H2,(H,30,35).
What are the key properties of N-[(1-phenylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[(1-phenylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56668711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).