1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide

C19H28N4O2 — CID 138998650

IUPAC1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(N3CCCC(C(N)=O)C3)cc2)CC1
InChIInChI=1S/C19H28N4O2/c1-22-11-8-16(9-12-22)21-19(25)14-4-6-17(7-5-14)23-10-2-3-15(13-23)18(20)24/h4-7,15-16H,2-3,8-13H2,1H3,(H2,20,24)(H,21,25)
InChIKeyDWWHHVHZPJDHIN-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.21
Rot. Bonds4

About 1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide

1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide (PubChem CID 138998650) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide
PubChem CID138998650
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(N3CCCC(C(N)=O)C3)cc2)CC1
InChIInChI=1S/C19H28N4O2/c1-22-11-8-16(9-12-22)21-19(25)14-4-6-17(7-5-14)23-10-2-3-15(13-23)18(20)24/h4-7,15-16H,2-3,8-13H2,1H3,(H2,20,24)(H,21,25)
InChIKeyDWWHHVHZPJDHIN-UHFFFAOYSA-N
XLogP1.21
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 94467987
4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373646
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 71881920
(3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide
CID 97094091
(3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide
CID 94506074
1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 47064463
1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 47069872
1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 51124631
1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide
CID 56799433
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide (CID 138998650) is 1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide is CN1CCC(NC(=O)c2ccc(N3CCCC(C(N)=O)C3)cc2)CC1.
What is the InChIKey of 1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide?
The InChIKey is DWWHHVHZPJDHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-22-11-8-16(9-12-22)21-19(25)14-4-6-17(7-5-14)23-10-2-3-15(13-23)18(20)24/h4-7,15-16H,2-3,8-13H2,1H3,(H2,20,24)(H,21,25).
What are the key properties of 1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide?
1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 138998650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).