N-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

C20H30N4O2 — CID 133134622

IUPACN-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(c2ccc(C(=O)N3CCCCC3)cn2)C[C@H]1C(C)C
InChIInChI=1S/C20H30N4O2/c1-14(2)17-12-24(13-18(17)22-15(3)25)19-8-7-16(11-21-19)20(26)23-9-5-4-6-10-23/h7-8,11,14,17-18H,4-6,9-10,12-13H2,1-3H3,(H,22,25)/t17-,18+/m0/s1
InChIKeyLBCHJGBZPJCVRI-ZWKOTPCHSA-N
MW358.49 g/mol
LogP2.30
Rot. Bonds4

About N-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 133134622) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID133134622
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(c2ccc(C(=O)N3CCCCC3)cn2)C[C@H]1C(C)C
InChIInChI=1S/C20H30N4O2/c1-14(2)17-12-24(13-18(17)22-15(3)25)19-8-7-16(11-21-19)20(26)23-9-5-4-6-10-23/h7-8,11,14,17-18H,4-6,9-10,12-13H2,1-3H3,(H,22,25)/t17-,18+/m0/s1
InChIKeyLBCHJGBZPJCVRI-ZWKOTPCHSA-N
XLogP2.30
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide with MolForge

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Related Compounds

[6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 156605295
3-methyl-1-[(3S)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-3-yl]butan-1-one
CID 95194229
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636
(4aS,8aS)-1-methyl-7-[5-(piperidine-1-carbonyl)-2-pyridinyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135112295
(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone
CID 119378158
N-[(3S,4R)-1-(4-methylsulfonylbenzoyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 133127517
[6-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 96572522
piperidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]methanone
CID 70776837
3-methyl-1-[(3S)-1-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 95206981
1-[(3S)-1-[6-(4-hydroxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95211661
1-[(3S)-1-[6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95229059
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119378111

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 133134622) is N-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(c2ccc(C(=O)N3CCCCC3)cn2)C[C@H]1C(C)C.
What is the InChIKey of N-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is LBCHJGBZPJCVRI-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-14(2)17-12-24(13-18(17)22-15(3)25)19-8-7-16(11-21-19)20(26)23-9-5-4-6-10-23/h7-8,11,14,17-18H,4-6,9-10,12-13H2,1-3H3,(H,22,25)/t17-,18+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 133134622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).