6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide

C18H24N4O3 — CID 56867645

IUPAC6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide
SMILESO=C1CNCC(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)N1
InChIInChI=1S/C18H24N4O3/c23-16-12-19-11-15(21-16)17(24)20-10-13-4-6-14(7-5-13)18(25)22-8-2-1-3-9-22/h4-7,15,19H,1-3,8-12H2,(H,20,24)(H,21,23)
InChIKeyVGQOGMRMSGVWGM-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.02
Rot. Bonds4

About 6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide

6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide (PubChem CID 56867645) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide
PubChem CID56867645
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide
SMILESO=C1CNCC(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)N1
InChIInChI=1S/C18H24N4O3/c23-16-12-19-11-15(21-16)17(24)20-10-13-4-6-14(7-5-13)18(25)22-8-2-1-3-9-22/h4-7,15,19H,1-3,8-12H2,(H,20,24)(H,21,23)
InChIKeyVGQOGMRMSGVWGM-UHFFFAOYSA-N
XLogP0.02
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide
CID 39162933
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154903655
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
(2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide
CID 125158287
3-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119694814
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
[4-[[[(3S)-piperidin-3-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 95388370
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene-5-carboxamide
CID 154981677
N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride
CID 119375294
(3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51948137

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide?
The IUPAC name of 6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide (CID 56867645) is 6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide?
The canonical SMILES for 6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide is O=C1CNCC(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)N1.
What is the InChIKey of 6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide?
The InChIKey is VGQOGMRMSGVWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-16-12-19-11-15(21-16)17(24)20-10-13-4-6-14(7-5-13)18(25)22-8-2-1-3-9-22/h4-7,15,19H,1-3,8-12H2,(H,20,24)(H,21,23).
What are the key properties of 6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide?
6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide is sourced from PubChem (CID 56867645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).