2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide

C20H32N4O — CID 138004864

IUPAC2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide
SMILESCC1(C)CCN(CC(=O)NCCC2CCN(c3ccncc3)CC2)C1
InChIInChI=1S/C20H32N4O/c1-20(2)8-14-23(16-20)15-19(25)22-11-3-17-6-12-24(13-7-17)18-4-9-21-10-5-18/h4-5,9-10,17H,3,6-8,11-16H2,1-2H3,(H,22,25)
InChIKeyALSWUNPXBFDRLK-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.54
Rot. Bonds6

About 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide

2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide (PubChem CID 138004864) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide
PubChem CID138004864
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide
SMILESCC1(C)CCN(CC(=O)NCCC2CCN(c3ccncc3)CC2)C1
InChIInChI=1S/C20H32N4O/c1-20(2)8-14-23(16-20)15-19(25)22-11-3-17-6-12-24(13-7-17)18-4-9-21-10-5-18/h4-5,9-10,17H,3,6-8,11-16H2,1-2H3,(H,22,25)
InChIKeyALSWUNPXBFDRLK-UHFFFAOYSA-N
XLogP2.54
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide
CID 75442069
1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea
CID 154859659
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclohexylethyl)acetamide;hydrochloride
CID 120772426
2-(1-pyridin-4-ylpiperidin-4-yl)acetyl chloride;hydrochloride
CID 22721805
4-(3,3-dimethylpyrrolidin-1-yl)pyridine
CID 67580177
2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide
CID 140553160
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728
N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107650
N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 154753113
2-(1-pyridin-4-ylpiperidin-4-yl)acetate
CID 18918250
3-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 23630512

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide?
The IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide (CID 138004864) is 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide is CC1(C)CCN(CC(=O)NCCC2CCN(c3ccncc3)CC2)C1.
What is the InChIKey of 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide?
The InChIKey is ALSWUNPXBFDRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-20(2)8-14-23(16-20)15-19(25)22-11-3-17-6-12-24(13-7-17)18-4-9-21-10-5-18/h4-5,9-10,17H,3,6-8,11-16H2,1-2H3,(H,22,25).
What are the key properties of 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide?
2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide has a molecular weight of 344.50 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide is sourced from PubChem (CID 138004864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).