3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide

C24H27N5O3 — CID 68952546

IUPAC3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1N(CCC(N)=O)C(N)=O
InChIInChI=1S/C24H27N5O3/c1-16-2-5-20(14-21(16)29(24(27)32)13-10-22(26)30)23(31)28-11-8-19(9-12-28)18-6-3-17(15-25)4-7-18/h2-7,14,19H,8-13H2,1H3,(H2,26,30)(H2,27,32)
InChIKeyJWTAKLYUVVAFCA-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.65
Rot. Bonds6

About 3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide

3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide (PubChem CID 68952546) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide.

Molecular Properties

Compound Name3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide
PubChem CID68952546
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1N(CCC(N)=O)C(N)=O
InChIInChI=1S/C24H27N5O3/c1-16-2-5-20(14-21(16)29(24(27)32)13-10-22(26)30)23(31)28-11-8-19(9-12-28)18-6-3-17(15-25)4-7-18/h2-7,14,19H,8-13H2,1H3,(H2,26,30)(H2,27,32)
InChIKeyJWTAKLYUVVAFCA-UHFFFAOYSA-N
XLogP2.65
TPSA133.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]-3-(4-fluorophenyl)propanoate
CID 68949353
3-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pentan-3-ylurea
CID 69168670
tert-butyl N-[2-[N-carbamoyl-2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]anilino]ethyl]carbamate
CID 68951504
4-[1-[3-[(E)-1-amino-2-chloro-3-iminoprop-1-enyl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile
CID 138717802
3-amino-4-methylbenzoic acid;4-[1-(3-amino-4-methylbenzoyl)piperidin-4-yl]benzonitrile;4-piperidin-4-ylbenzonitrile;hydrochloride
CID 162219922
4-[1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylbenzoyl]piperidin-4-yl]benzonitrile
CID 90874745
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-prop-2-ynylurea
CID 25133081
1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide
CID 69189295
4-[1-[3-[(5-butanoyl-2-pyridinyl)methyl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile
CID 159982775
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide
CID 25107001
4-[1-[3-(2,5-dimethyl-2,3-dihydro-1H-imidazol-4-yl)-4-methylbenzoyl]piperidin-4-yl]benzonitrile
CID 138717615
2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]acetic acid
CID 68950872

Frequently Asked Questions

What is the IUPAC name of 3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide?
The IUPAC name of 3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide (CID 68952546) is 3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide.
What is the SMILES notation for 3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide?
The canonical SMILES for 3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1N(CCC(N)=O)C(N)=O.
What is the InChIKey of 3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide?
The InChIKey is JWTAKLYUVVAFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16-2-5-20(14-21(16)29(24(27)32)13-10-22(26)30)23(31)28-11-8-19(9-12-28)18-6-3-17(15-25)4-7-18/h2-7,14,19H,8-13H2,1H3,(H2,26,30)(H2,27,32).
What are the key properties of 3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide?
3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide has a molecular weight of 433.51 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide is sourced from PubChem (CID 68952546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).