4-[1-[3-[carbamoyl(propan-2-yl)amino]-4-methylbenzoyl]piperidin-4-yl]-N,N-dimethylbenzamide

C26H34N4O3 — CID 68954274

IUPAC4-[1-[3-[carbamoyl(propan-2-yl)amino]-4-methylbenzoyl]piperidin-4-yl]-N,N-dimethylbenzamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C(=O)N(C)C)cc3)CC2)cc1N(C(N)=O)C(C)C
InChIInChI=1S/C26H34N4O3/c1-17(2)30(26(27)33)23-16-22(7-6-18(23)3)25(32)29-14-12-20(13-15-29)19-8-10-21(11-9-19)24(31)28(4)5/h6-11,16-17,20H,12-15H2,1-5H3,(H2,27,33)
InChIKeyKXEFBLLSCWZPLY-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.01
Rot. Bonds5

About 4-[1-[3-[carbamoyl(propan-2-yl)amino]-4-methylbenzoyl]piperidin-4-yl]-N,N-dimethylbenzamide

4-[1-[3-[carbamoyl(propan-2-yl)amino]-4-methylbenzoyl]piperidin-4-yl]-N,N-dimethylbenzamide (PubChem CID 68954274) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 4-[1-[3-[carbamoyl(propan-2-yl)amino]-4-methylbenzoyl]piperidin-4-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[1-[3-[carbamoyl(propan-2-yl)amino]-4-methylbenzoyl]piperidin-4-yl]-N,N-dimethylbenzamide
PubChem CID68954274
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name4-[1-[3-[carbamoyl(propan-2-yl)amino]-4-methylbenzoyl]piperidin-4-yl]-N,N-dimethylbenzamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C(=O)N(C)C)cc3)CC2)cc1N(C(N)=O)C(C)C
InChIInChI=1S/C26H34N4O3/c1-17(2)30(26(27)33)23-16-22(7-6-18(23)3)25(32)29-14-12-20(13-15-29)19-8-10-21(11-9-19)24(31)28(4)5/h6-11,16-17,20H,12-15H2,1-5H3,(H2,27,33)
InChIKeyKXEFBLLSCWZPLY-UHFFFAOYSA-N
XLogP4.01
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide
CID 68952546
tert-butyl N-[2-[N-carbamoyl-2-methyl-5-[4-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]anilino]ethyl]carbamate
CID 68951504
N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one
CID 160992069
2-[4-[1-[3-(methanesulfonamido)-4-methylbenzoyl]piperidin-4-yl]phenyl]-N,N-dimethylacetamide
CID 68945175
N-[2-methyl-5-[4-(4-methylsulfonylphenyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 25153153
1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 91652591
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
3-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pentan-3-ylurea
CID 69168670
(3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone
CID 118143965
2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]-3-methylbutanamide
CID 91449961
cis-(1S,2R)-N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-hydroxycyclohexane-1-carboxamide
CID 89272768

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[carbamoyl(propan-2-yl)amino]-4-methylbenzoyl]piperidin-4-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[1-[3-[carbamoyl(propan-2-yl)amino]-4-methylbenzoyl]piperidin-4-yl]-N,N-dimethylbenzamide (CID 68954274) is 4-[1-[3-[carbamoyl(propan-2-yl)amino]-4-methylbenzoyl]piperidin-4-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[1-[3-[carbamoyl(propan-2-yl)amino]-4-methylbenzoyl]piperidin-4-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[1-[3-[carbamoyl(propan-2-yl)amino]-4-methylbenzoyl]piperidin-4-yl]-N,N-dimethylbenzamide is Cc1ccc(C(=O)N2CCC(c3ccc(C(=O)N(C)C)cc3)CC2)cc1N(C(N)=O)C(C)C.
What is the InChIKey of 4-[1-[3-[carbamoyl(propan-2-yl)amino]-4-methylbenzoyl]piperidin-4-yl]-N,N-dimethylbenzamide?
The InChIKey is KXEFBLLSCWZPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-17(2)30(26(27)33)23-16-22(7-6-18(23)3)25(32)29-14-12-20(13-15-29)19-8-10-21(11-9-19)24(31)28(4)5/h6-11,16-17,20H,12-15H2,1-5H3,(H2,27,33).
What are the key properties of 4-[1-[3-[carbamoyl(propan-2-yl)amino]-4-methylbenzoyl]piperidin-4-yl]-N,N-dimethylbenzamide?
4-[1-[3-[carbamoyl(propan-2-yl)amino]-4-methylbenzoyl]piperidin-4-yl]-N,N-dimethylbenzamide has a molecular weight of 450.58 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[carbamoyl(propan-2-yl)amino]-4-methylbenzoyl]piperidin-4-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 68954274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).