N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide

C16H21N3O3 — CID 60527480

IUPACN-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C16H21N3O3/c1-2-14(20)19-9-3-4-12(10-19)16(22)18-13-7-5-11(6-8-13)15(17)21/h5-8,12H,2-4,9-10H2,1H3,(H2,17,21)(H,18,22)
InChIKeyNBXMGJBIGLGJLP-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.37
Rot. Bonds4

About N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide

N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide (PubChem CID 60527480) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
PubChem CID60527480
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C16H21N3O3/c1-2-14(20)19-9-3-4-12(10-19)16(22)18-13-7-5-11(6-8-13)15(17)21/h5-8,12H,2-4,9-10H2,1H3,(H2,17,21)(H,18,22)
InChIKeyNBXMGJBIGLGJLP-UHFFFAOYSA-N
XLogP1.37
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide
CID 9207172
N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55975169
N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 55811063
(3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447175
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255391
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55871872
4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid
CID 43170125
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55811341
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide
CID 119697874
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 56508448

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide (CID 60527480) is N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)Nc2ccc(C(N)=O)cc2)C1.
What is the InChIKey of N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide?
The InChIKey is NBXMGJBIGLGJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-14(20)19-9-3-4-12(10-19)16(22)18-13-7-5-11(6-8-13)15(17)21/h5-8,12H,2-4,9-10H2,1H3,(H2,17,21)(H,18,22).
What are the key properties of N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide?
N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 60527480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).