N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide

C21H33N3O3 — CID 51126798

IUPACN-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide
SMILESCc1ccc(NC(=O)CCOCC(C)C)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C21H33N3O3/c1-16(2)15-27-12-9-20(25)22-18-8-7-17(3)19(13-18)23-21(26)14-24-10-5-4-6-11-24/h7-8,13,16H,4-6,9-12,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeySYFSGTPAUPZCFE-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.42
Rot. Bonds9

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

N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide (PubChem CID 51126798) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide
PubChem CID51126798
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide
SMILESCc1ccc(NC(=O)CCOCC(C)C)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C21H33N3O3/c1-16(2)15-27-12-9-20(25)22-18-8-7-17(3)19(13-18)23-21(26)14-24-10-5-4-6-11-24/h7-8,13,16H,4-6,9-12,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeySYFSGTPAUPZCFE-UHFFFAOYSA-N
XLogP3.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865183
2-(cyclopropylmethylamino)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865177
4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride
CID 120596003
(2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide
CID 119865203
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-[2-methyl-5-[[2-(2-oxo-1-pyridinyl)acetyl]amino]phenyl]-2-piperidin-1-ylacetamide
CID 86853160
N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide
CID 86852146
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide
CID 119865151
2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 52511276
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride
CID 119865150

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide (CID 51126798) is N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide is Cc1ccc(NC(=O)CCOCC(C)C)cc1NC(=O)CN1CCCCC1.
What is the InChIKey of N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide?
The InChIKey is SYFSGTPAUPZCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-16(2)15-27-12-9-20(25)22-18-8-7-17(3)19(13-18)23-21(26)14-24-10-5-4-6-11-24/h7-8,13,16H,4-6,9-12,14-15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide?
N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide has a molecular weight of 375.51 g/mol, XLogP of 3.42, 9 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-(2-methylpropoxy)propanamide is sourced from PubChem (CID 51126798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).