N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide

C22H28N4O2 — CID 86852146

IUPACN-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide
SMILESCc1ccc(NC(=O)CCc2cccnc2)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C22H28N4O2/c1-17-7-9-19(24-21(27)10-8-18-6-5-11-23-15-18)14-20(17)25-22(28)16-26-12-3-2-4-13-26/h5-7,9,11,14-15H,2-4,8,10,12-13,16H2,1H3,(H,24,27)(H,25,28)
InChIKeyKYQQNKKXYZJFQD-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.39
Rot. Bonds7

About N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide

N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide (PubChem CID 86852146) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide
PubChem CID86852146
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide
SMILESCc1ccc(NC(=O)CCc2cccnc2)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C22H28N4O2/c1-17-7-9-19(24-21(27)10-8-18-6-5-11-23-15-18)14-20(17)25-22(28)16-26-12-3-2-4-13-26/h5-7,9,11,14-15H,2-4,8,10,12-13,16H2,1H3,(H,24,27)(H,25,28)
InChIKeyKYQQNKKXYZJFQD-UHFFFAOYSA-N
XLogP3.39
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865183
N-(5-fluoro-2-methylphenyl)-3-pyridin-3-ylpropanamide
CID 9208566
N-[2-methyl-5-[[2-(2-oxo-1-pyridinyl)acetyl]amino]phenyl]-2-piperidin-1-ylacetamide
CID 86853160
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814565
N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide
CID 51126798
2-(cyclopropylmethylamino)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865177
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-phenylpropanamide
CID 119865161
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-isoquinolin-6-yl-2-piperidin-1-ylacetamide
CID 134249863
N-(2,3-dimethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide
CID 27860014
3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 30583465
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide (CID 86852146) is N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide is Cc1ccc(NC(=O)CCc2cccnc2)cc1NC(=O)CN1CCCCC1.
What is the InChIKey of N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide?
The InChIKey is KYQQNKKXYZJFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17-7-9-19(24-21(27)10-8-18-6-5-11-23-15-18)14-20(17)25-22(28)16-26-12-3-2-4-13-26/h5-7,9,11,14-15H,2-4,8,10,12-13,16H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide?
N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide has a molecular weight of 380.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 86852146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).