4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide

C16H25N3O — CID 61005719

IUPAC4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(NC2(C(N)=O)CCN(C(C)C)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-12(2)19-10-8-16(9-11-19,15(17)20)18-14-6-4-13(3)5-7-14/h4-7,12,18H,8-11H2,1-3H3,(H2,17,20)
InChIKeyJINZMJWJRJENSF-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.14
Rot. Bonds4

About 4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide

4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 61005719) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID61005719
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(NC2(C(N)=O)CCN(C(C)C)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-12(2)19-10-8-16(9-11-19,15(17)20)18-14-6-4-13(3)5-7-14/h4-7,12,18H,8-11H2,1-3H3,(H2,17,20)
InChIKeyJINZMJWJRJENSF-UHFFFAOYSA-N
XLogP2.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65075790
1-(4-methylanilino)cyclobutane-1-carboxamide
CID 61006087
4-(4-methylanilino)thiane-4-carboxamide
CID 61318390
4-(2-bromoanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65076342
4-(2-fluoroanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65075891
3-(4-methylanilino)thiane-3-carboxamide
CID 62872924
3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide
CID 106822432
4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075738
1-(4-methoxyanilino)cyclohexane-1-carboxamide
CID 2310511
ethyl 1-(4-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563427
4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65076096
4-(4-methoxyanilino)oxane-4-carboxamide
CID 54889147

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide (CID 61005719) is 4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide is Cc1ccc(NC2(C(N)=O)CCN(C(C)C)CC2)cc1.
What is the InChIKey of 4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is JINZMJWJRJENSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)19-10-8-16(9-11-19,15(17)20)18-14-6-4-13(3)5-7-14/h4-7,12,18H,8-11H2,1-3H3,(H2,17,20).
What are the key properties of 4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide?
4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 61005719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).