4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide

C26H33N5O2 — CID 68971770

IUPAC4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide
SMILESCC(CC(N)=O)N1CCC(N(Cc2cccc(C#N)c2)c2ccc(C(=O)N(C)C)cc2)CC1
InChIInChI=1S/C26H33N5O2/c1-19(15-25(28)32)30-13-11-24(12-14-30)31(18-21-6-4-5-20(16-21)17-27)23-9-7-22(8-10-23)26(33)29(2)3/h4-10,16,19,24H,11-15,18H2,1-3H3,(H2,28,32)
InChIKeyVIQQRPADXCVIBY-UHFFFAOYSA-N
MW447.58 g/mol
LogP2.99
Rot. Bonds8

About 4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide

4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide (PubChem CID 68971770) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide
PubChem CID68971770
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide
SMILESCC(CC(N)=O)N1CCC(N(Cc2cccc(C#N)c2)c2ccc(C(=O)N(C)C)cc2)CC1
InChIInChI=1S/C26H33N5O2/c1-19(15-25(28)32)30-13-11-24(12-14-30)31(18-21-6-4-5-20(16-21)17-27)23-9-7-22(8-10-23)26(33)29(2)3/h4-10,16,19,24H,11-15,18H2,1-3H3,(H2,28,32)
InChIKeyVIQQRPADXCVIBY-UHFFFAOYSA-N
XLogP2.99
TPSA93.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide with MolForge

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Related Compounds

3-[4-[N-[(3-cyanophenyl)methyl]-4-(piperazine-1-carbonyl)anilino]piperidin-1-yl]butanamide
CID 68969000
[4-[[1-(4-aminobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]phenyl] methanesulfonate
CID 87639007
3-[[N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-4-[tert-butyl(dimethyl)silyl]oxyanilino]methyl]benzonitrile
CID 68970186
N-[3-[4-[(3-cyanophenyl)methyl-(2,3-dihydro-1H-isoindol-5-yl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide
CID 68970448
N-[3-[4-[N-[(3-cyanophenyl)methyl]-4-ethanimidoylanilino]piperidin-1-yl]butyl]-1-hydroxy-2,4-dimethylpyridin-1-ium-3-carboxamide
CID 143065508
N-[[4-[(3-cyanophenyl)methyl-piperidin-4-ylamino]phenyl]methyl]acetamide
CID 68972790
[4-[[1-(3-aminobutyl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]phenyl] methanesulfonate
CID 87695294
[4-[(3-cyanophenyl)methyl-[1-[3-[(4,6-dimethylpyrimidine-5-carbonyl)amino]butyl]piperidin-4-yl]amino]phenyl] N,N-dimethylcarbamate
CID 69104161
2-[(3-cyanophenyl)methyl-methylamino]propanamide
CID 47170731
N-[(3-cyanophenyl)methyl]-N-methylazepane-1-carboxamide
CID 79152015
(3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide
CID 68968829
3-[4-[N-[(5-chloro-2-fluorophenyl)methyl]-4-sulfamoylanilino]piperidin-1-yl]butanamide
CID 68971728

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide (CID 68971770) is 4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide is CC(CC(N)=O)N1CCC(N(Cc2cccc(C#N)c2)c2ccc(C(=O)N(C)C)cc2)CC1.
What is the InChIKey of 4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide?
The InChIKey is VIQQRPADXCVIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-19(15-25(28)32)30-13-11-24(12-14-30)31(18-21-6-4-5-20(16-21)17-27)23-9-7-22(8-10-23)26(33)29(2)3/h4-10,16,19,24H,11-15,18H2,1-3H3,(H2,28,32).
What are the key properties of 4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide?
4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide has a molecular weight of 447.58 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 68971770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).