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

C19H23ClN4O2 — CID 87017418

IUPAC1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(Cc2nnc(-c3ccc(Cl)cc3)o2)C1
InChIInChI=1S/C19H23ClN4O2/c20-16-7-5-14(6-8-16)19-23-22-17(26-19)12-24-9-1-2-15(11-24)18(25)21-10-13-3-4-13/h5-8,13,15H,1-4,9-12H2,(H,21,25)
InChIKeyQLCUHCUGBSRNTR-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.13
Rot. Bonds6

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

1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide (PubChem CID 87017418) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
PubChem CID87017418
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(Cc2nnc(-c3ccc(Cl)cc3)o2)C1
InChIInChI=1S/C19H23ClN4O2/c20-16-7-5-14(6-8-16)19-23-22-17(26-19)12-24-9-1-2-15(11-24)18(25)21-10-13-3-4-13/h5-8,13,15H,1-4,9-12H2,(H,21,25)
InChIKeyQLCUHCUGBSRNTR-UHFFFAOYSA-N
XLogP3.13
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60642415
1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 46405367
(3S)-N-(cyclopropylmethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94028331
(3R)-N-(cyclopropylmethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94028332
ethyl (3S)-1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxylate
CID 36795920
ethyl 1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxylate
CID 42926003
(3R)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,2-diethoxyethyl)piperidine-3-carboxamide
CID 92662431
N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
CID 55994508
(3S)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 124772002
[1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60670195
N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
CID 16580752
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60669557

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide (CID 87017418) is 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide is O=C(NCC1CC1)C1CCCN(Cc2nnc(-c3ccc(Cl)cc3)o2)C1.
What is the InChIKey of 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The InChIKey is QLCUHCUGBSRNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c20-16-7-5-14(6-8-16)19-23-22-17(26-19)12-24-9-1-2-15(11-24)18(25)21-10-13-3-4-13/h5-8,13,15H,1-4,9-12H2,(H,21,25).
What are the key properties of 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide?
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 87017418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).