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

C29H36N6O3 — CID 56658169

IUPACN-[[1-(piperidine-1-carbonyl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCC1(C(=O)N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C29H36N6O3/c36-27(34-16-6-1-7-17-34)29(14-4-5-15-29)20-30-28(37)35-18-12-22(13-19-35)26-32-25(33-38-26)24-11-10-21-8-2-3-9-23(21)31-24/h2-3,8-11,22H,1,4-7,12-20H2,(H,30,37)
InChIKeyVOMUDECPLXAVHE-UHFFFAOYSA-N
MW516.65 g/mol
LogP4.75
Rot. Bonds5

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

N-[[1-(piperidine-1-carbonyl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56658169) has the molecular formula C29H36N6O3 and a molecular weight of 516.65 g/mol. Its IUPAC name is N-[[1-(piperidine-1-carbonyl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(piperidine-1-carbonyl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56658169
Molecular FormulaC29H36N6O3
Molecular Weight516.65 g/mol
Exact Mass516.28
IUPAC NameN-[[1-(piperidine-1-carbonyl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCC1(C(=O)N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C29H36N6O3/c36-27(34-16-6-1-7-17-34)29(14-4-5-15-29)20-30-28(37)35-18-12-22(13-19-35)26-32-25(33-38-26)24-11-10-21-8-2-3-9-23(21)31-24/h2-3,8-11,22H,1,4-7,12-20H2,(H,30,37)
InChIKeyVOMUDECPLXAVHE-UHFFFAOYSA-N
XLogP4.75
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.65
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(piperidine-1-carbonyl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[[1-(piperidine-1-carbonyl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56658169) is N-[[1-(piperidine-1-carbonyl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(piperidine-1-carbonyl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[[1-(piperidine-1-carbonyl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NCC1(C(=O)N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-[[1-(piperidine-1-carbonyl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is VOMUDECPLXAVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O3/c36-27(34-16-6-1-7-17-34)29(14-4-5-15-29)20-30-28(37)35-18-12-22(13-19-35)26-32-25(33-38-26)24-11-10-21-8-2-3-9-23(21)31-24/h2-3,8-11,22H,1,4-7,12-20H2,(H,30,37).
What are the key properties of N-[[1-(piperidine-1-carbonyl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[[1-(piperidine-1-carbonyl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 516.65 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(piperidine-1-carbonyl)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56658169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).