2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide

C21H31N3O2 — CID 96579249

IUPAC2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC[C@H](C(=O)N2CCC(CCc3ccccc3)CC2)C1
InChIInChI=1S/C21H31N3O2/c22-20(25)16-23-12-4-7-19(15-23)21(26)24-13-10-18(11-14-24)9-8-17-5-2-1-3-6-17/h1-3,5-6,18-19H,4,7-16H2,(H2,22,25)/t19-/m0/s1
InChIKeyKIWCFNJEHPBKER-IBGZPJMESA-N
MW357.50 g/mol
LogP2.06
Rot. Bonds6

About 2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide

2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide (PubChem CID 96579249) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
PubChem CID96579249
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC[C@H](C(=O)N2CCC(CCc3ccccc3)CC2)C1
InChIInChI=1S/C21H31N3O2/c22-20(25)16-23-12-4-7-19(15-23)21(26)24-13-10-18(11-14-24)9-8-17-5-2-1-3-6-17/h1-3,5-6,18-19H,4,7-16H2,(H2,22,25)/t19-/m0/s1
InChIKeyKIWCFNJEHPBKER-IBGZPJMESA-N
XLogP2.06
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 70767745
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone
CID 2930874
2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide
CID 131911214
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131930592
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
2-[3-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)piperidin-1-yl]acetamide
CID 146046666
(4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone
CID 3482407
2-[3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 118775112
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide (CID 96579249) is 2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide is NC(=O)CN1CCC[C@H](C(=O)N2CCC(CCc3ccccc3)CC2)C1.
What is the InChIKey of 2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is KIWCFNJEHPBKER-IBGZPJMESA-N. The full InChI is InChI=1S/C21H31N3O2/c22-20(25)16-23-12-4-7-19(15-23)21(26)24-13-10-18(11-14-24)9-8-17-5-2-1-3-6-17/h1-3,5-6,18-19H,4,7-16H2,(H2,22,25)/t19-/m0/s1.
What are the key properties of 2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 357.50 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 96579249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).