N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide

C20H33N3O — CID 52908771

IUPACN-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide
SMILESCc1ccccc1NCCC(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C20H33N3O/c1-15-11-16(2)13-23(12-15)14-18(4)22-20(24)9-10-21-19-8-6-5-7-17(19)3/h5-8,15-16,18,21H,9-14H2,1-4H3,(H,22,24)/t15-,16+,18-/m0/s1
InChIKeyOEIYDSRNPYIBOX-JZXOWHBKSA-N
MW331.50 g/mol
LogP3.28
Rot. Bonds7

About N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide

N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide (PubChem CID 52908771) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide
PubChem CID52908771
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC NameN-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide
SMILESCc1ccccc1NCCC(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C20H33N3O/c1-15-11-16(2)13-23(12-15)14-18(4)22-20(24)9-10-21-19-8-6-5-7-17(19)3/h5-8,15-16,18,21H,9-14H2,1-4H3,(H,22,24)/t15-,16+,18-/m0/s1
InChIKeyOEIYDSRNPYIBOX-JZXOWHBKSA-N
XLogP3.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide
CID 60574406
N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide
CID 94814438
N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 99845628
3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide
CID 60574443
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119863555
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-methoxy-4-methylbenzamide
CID 60573440
N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]pyrimidine-2-carboxamide
CID 95772449
1-(3-hydroxyazetidin-1-yl)-3-(2-methylanilino)propan-1-one
CID 154737556
N-(1-adamantyl)-3-(2-methylanilino)propanamide
CID 37248010
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide
CID 60573467
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 60573605
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60573549

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide?
The IUPAC name of N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide (CID 52908771) is N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide.
What is the SMILES notation for N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide?
The canonical SMILES for N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide is Cc1ccccc1NCCC(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1.
What is the InChIKey of N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide?
The InChIKey is OEIYDSRNPYIBOX-JZXOWHBKSA-N. The full InChI is InChI=1S/C20H33N3O/c1-15-11-16(2)13-23(12-15)14-18(4)22-20(24)9-10-21-19-8-6-5-7-17(19)3/h5-8,15-16,18,21H,9-14H2,1-4H3,(H,22,24)/t15-,16+,18-/m0/s1.
What are the key properties of N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide?
N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide has a molecular weight of 331.50 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide is sourced from PubChem (CID 52908771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).