2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride

C22H30Cl2N4O2 — CID 119865150

IUPAC2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride
SMILESCc1ccc(NC(=O)C(N)c2ccccc2)cc1NC(=O)CN1CCCCC1.Cl.Cl
InChIInChI=1S/C22H28N4O2.2ClH/c1-16-10-11-18(24-22(28)21(23)17-8-4-2-5-9-17)14-19(16)25-20(27)15-26-12-6-3-7-13-26;;/h2,4-5,8-11,14,21H,3,6-7,12-13,15,23H2,1H3,(H,24,28)(H,25,27);2*1H
InChIKeyWDHYVWDYMVIFPN-UHFFFAOYSA-N
MW453.41 g/mol
LogP3.90
Rot. Bonds6

About 2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride

2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride (PubChem CID 119865150) has the molecular formula C22H30Cl2N4O2 and a molecular weight of 453.41 g/mol. Its IUPAC name is 2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride
PubChem CID119865150
Molecular FormulaC22H30Cl2N4O2
Molecular Weight453.41 g/mol
Exact Mass452.17
IUPAC Name2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride
SMILESCc1ccc(NC(=O)C(N)c2ccccc2)cc1NC(=O)CN1CCCCC1.Cl.Cl
InChIInChI=1S/C22H28N4O2.2ClH/c1-16-10-11-18(24-22(28)21(23)17-8-4-2-5-9-17)14-19(16)25-20(27)15-26-12-6-3-7-13-26;;/h2,4-5,8-11,14,21H,3,6-7,12-13,15,23H2,1H3,(H,24,28)(H,25,27);2*1H
InChIKeyWDHYVWDYMVIFPN-UHFFFAOYSA-N
XLogP3.90
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide
CID 119865151
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-phenylpropanamide
CID 119865161
2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide
CID 119871125
(2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide
CID 119865203
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865183
2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide
CID 120669658
N-[2-methyl-5-[[2-(2-oxo-1-pyridinyl)acetyl]amino]phenyl]-2-piperidin-1-ylacetamide
CID 86853160
4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride
CID 120596003
2-(cyclopropylmethylamino)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865177
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride (CID 119865150) is 2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride is Cc1ccc(NC(=O)C(N)c2ccccc2)cc1NC(=O)CN1CCCCC1.Cl.Cl.
What is the InChIKey of 2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride?
The InChIKey is WDHYVWDYMVIFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.2ClH/c1-16-10-11-18(24-22(28)21(23)17-8-4-2-5-9-17)14-19(16)25-20(27)15-26-12-6-3-7-13-26;;/h2,4-5,8-11,14,21H,3,6-7,12-13,15,23H2,1H3,(H,24,28)(H,25,27);2*1H.
What are the key properties of 2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride?
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride has a molecular weight of 453.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride is sourced from PubChem (CID 119865150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).