(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide

C20H31N3O — CID 41157173

IUPAC(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide
SMILESC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)C1
InChIInChI=1S/C20H31N3O/c1-16-7-6-14-23(15-16)17(2)20(24)21-18-8-10-19(11-9-18)22-12-4-3-5-13-22/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyHPZFWZRVZYQFJM-SJORKVTESA-N
MW329.49 g/mol
LogP3.74
Rot. Bonds4

About (2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide

(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 41157173) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is (2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID41157173
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide
SMILESC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)C1
InChIInChI=1S/C20H31N3O/c1-16-7-6-14-23(15-16)17(2)20(24)21-18-8-10-19(11-9-18)22-12-4-3-5-13-22/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyHPZFWZRVZYQFJM-SJORKVTESA-N
XLogP3.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4825469
(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275474
(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275461
(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275552
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 8903614
(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9275584
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275425
(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110884154
N-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 43103510

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of (2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide (CID 41157173) is (2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide is C[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)C1.
What is the InChIKey of (2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is HPZFWZRVZYQFJM-SJORKVTESA-N. The full InChI is InChI=1S/C20H31N3O/c1-16-7-6-14-23(15-16)17(2)20(24)21-18-8-10-19(11-9-18)22-12-4-3-5-13-22/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,21,24)/t16-,17+/m1/s1.
What are the key properties of (2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide?
(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 329.49 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 41157173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).