N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide

C16H23N3O2 — CID 73419587

IUPACN-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
SMILESCN(CCCNC(=O)C1CCC(=O)NC1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-19(14-6-3-2-4-7-14)11-5-10-17-16(21)13-8-9-15(20)18-12-13/h2-4,6-7,13H,5,8-12H2,1H3,(H,17,21)(H,18,20)
InChIKeyHKEZYQUCALYVHX-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.16
Rot. Bonds6

About N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide

N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide (PubChem CID 73419587) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
PubChem CID73419587
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
SMILESCN(CCCNC(=O)C1CCC(=O)NC1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-19(14-6-3-2-4-7-14)11-5-10-17-16(21)13-8-9-15(20)18-12-13/h2-4,6-7,13H,5,8-12H2,1H3,(H,17,21)(H,18,20)
InChIKeyHKEZYQUCALYVHX-UHFFFAOYSA-N
XLogP1.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(N-methylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005380
N-[3-(dimethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide
CID 112728984
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337
1-(2,6-dichlorophenyl)sulfonyl-N-[3-(N-methylanilino)propyl]piperidine-4-carboxamide
CID 27024550
N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide
CID 103617435
N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide
CID 112728621
2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
CID 43135762
N-methyl-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 74878818
N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193917
(3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 98681944
N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60566059
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 78924914

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide (CID 73419587) is N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide is CN(CCCNC(=O)C1CCC(=O)NC1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is HKEZYQUCALYVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19(14-6-3-2-4-7-14)11-5-10-17-16(21)13-8-9-15(20)18-12-13/h2-4,6-7,13H,5,8-12H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide?
N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 73419587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).