N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

C21H35N5O2 — CID 56871099

IUPACN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCCN(Cc1noc(C2CCC2)n1)C(=O)C1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C21H35N5O2/c1-3-25(15-19-22-20(28-23-19)16-6-4-7-16)21(27)17-8-5-11-26(14-17)18-9-12-24(2)13-10-18/h16-18H,3-15H2,1-2H3
InChIKeyCPBANHRMPPNLRQ-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.49
Rot. Bonds6

About N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 56871099) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID56871099
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCCN(Cc1noc(C2CCC2)n1)C(=O)C1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C21H35N5O2/c1-3-25(15-19-22-20(28-23-19)16-6-4-7-16)21(27)17-8-5-11-26(14-17)18-9-12-24(2)13-10-18/h16-18H,3-15H2,1-2H3
InChIKeyCPBANHRMPPNLRQ-UHFFFAOYSA-N
XLogP2.49
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 7047247
N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 6456406
(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28822083
(3R,6S)-1-acetyl-6-amino-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylazepane-3-carboxamide
CID 165421747
(2R)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylmorpholine-2-carboxamide
CID 95729325
3-[[(3S)-1-acetylpiperidin-3-yl]methyl]-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethylurea
CID 126430063
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-[(2S)-2-methylbutyl]urea
CID 126441521
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methylbutyl)urea
CID 119068258
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131904872
1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide
CID 91830712
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-(3-methylimidazol-4-yl)benzamide
CID 121498181
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 118762456

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (CID 56871099) is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is CCN(Cc1noc(C2CCC2)n1)C(=O)C1CCCN(C2CCN(C)CC2)C1.
What is the InChIKey of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is CPBANHRMPPNLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-3-25(15-19-22-20(28-23-19)16-6-4-7-16)21(27)17-8-5-11-26(14-17)18-9-12-24(2)13-10-18/h16-18H,3-15H2,1-2H3.
What are the key properties of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 56871099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).