2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide

C23H38N4O3 — CID 100706995

IUPAC2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide
SMILESCC(C)C(=O)N[C@H]1CCCN(CCNC(=O)NC(C)(C)COCc2ccccc2)C1
InChIInChI=1S/C23H38N4O3/c1-18(2)21(28)25-20-11-8-13-27(15-20)14-12-24-22(29)26-23(3,4)17-30-16-19-9-6-5-7-10-19/h5-7,9-10,18,20H,8,11-17H2,1-4H3,(H,25,28)(H2,24,26,29)/t20-/m0/s1
InChIKeyIIQJJNATYXUZOF-FQEVSTJZSA-N
MW418.58 g/mol
LogP2.52
Rot. Bonds10

About 2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide

2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide (PubChem CID 100706995) has the molecular formula C23H38N4O3 and a molecular weight of 418.58 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide
PubChem CID100706995
Molecular FormulaC23H38N4O3
Molecular Weight418.58 g/mol
Exact Mass418.29
IUPAC Name2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide
SMILESCC(C)C(=O)N[C@H]1CCCN(CCNC(=O)NC(C)(C)COCc2ccccc2)C1
InChIInChI=1S/C23H38N4O3/c1-18(2)21(28)25-20-11-8-13-27(15-20)14-12-24-22(29)26-23(3,4)17-30-16-19-9-6-5-7-10-19/h5-7,9-10,18,20H,8,11-17H2,1-4H3,(H,25,28)(H2,24,26,29)/t20-/m0/s1
InChIKeyIIQJJNATYXUZOF-FQEVSTJZSA-N
XLogP2.52
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
CID 124852141
1-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
CID 124844383
1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 124844930
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
(2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide
CID 94194356
N-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide
CID 124845099
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
tert-butyl 4-[2-[3-(phenylmethoxycarbonylamino)piperidin-1-yl]ethyl]piperazine-1-carboxylate
CID 177098320
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide
CID 110921573
N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide
CID 55645284

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide (CID 100706995) is 2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide is CC(C)C(=O)N[C@H]1CCCN(CCNC(=O)NC(C)(C)COCc2ccccc2)C1.
What is the InChIKey of 2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide?
The InChIKey is IIQJJNATYXUZOF-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H38N4O3/c1-18(2)21(28)25-20-11-8-13-27(15-20)14-12-24-22(29)26-23(3,4)17-30-16-19-9-6-5-7-10-19/h5-7,9-10,18,20H,8,11-17H2,1-4H3,(H,25,28)(H2,24,26,29)/t20-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide?
2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide has a molecular weight of 418.58 g/mol, XLogP of 2.52, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 100706995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).