(2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide

C20H32N4O2 — CID 119865203

IUPAC(2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide
SMILESCc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C20H32N4O2/c1-14(2)11-17(21)20(26)22-16-8-7-15(3)18(12-16)23-19(25)13-24-9-5-4-6-10-24/h7-8,12,14,17H,4-6,9-11,13,21H2,1-3H3,(H,22,26)(H,23,25)/t17-/m0/s1
InChIKeyCREJXVHYSGMCLN-KRWDZBQOSA-N
MW360.50 g/mol
LogP2.73
Rot. Bonds7

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

(2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide (PubChem CID 119865203) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide
PubChem CID119865203
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name(2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide
SMILESCc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C20H32N4O2/c1-14(2)11-17(21)20(26)22-16-8-7-15(3)18(12-16)23-19(25)13-24-9-5-4-6-10-24/h7-8,12,14,17H,4-6,9-11,13,21H2,1-3H3,(H,22,26)(H,23,25)/t17-/m0/s1
InChIKeyCREJXVHYSGMCLN-KRWDZBQOSA-N
XLogP2.73
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.73
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]-3-phenylpropanamide
CID 119865161
(2S)-2-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-4-methylpentanamide
CID 119870437
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]-2-phenylacetamide;dihydrochloride
CID 119865150
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865183
N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide
CID 51126798
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-(3,4-dimethylphenyl)acetamide
CID 8895959
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-[2-methyl-5-[[2-(2-oxo-1-pyridinyl)acetyl]amino]phenyl]-2-piperidin-1-ylacetamide
CID 86853160
(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
CID 107701657

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide (CID 119865203) is (2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide is Cc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1NC(=O)CN1CCCCC1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide?
The InChIKey is CREJXVHYSGMCLN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-14(2)11-17(21)20(26)22-16-8-7-15(3)18(12-16)23-19(25)13-24-9-5-4-6-10-24/h7-8,12,14,17H,4-6,9-11,13,21H2,1-3H3,(H,22,26)(H,23,25)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide?
(2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide has a molecular weight of 360.50 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide is sourced from PubChem (CID 119865203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).