N,N-diethyl-2-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide

C16H31N3O — CID 95261573

IUPACN,N-diethyl-2-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC[C@H]1CN1CCCCC1
InChIInChI=1S/C16H31N3O/c1-3-18(4-2)16(20)14-19-12-8-9-15(19)13-17-10-6-5-7-11-17/h15H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyHNYRHXKJWYIBLB-HNNXBMFYSA-N
MW281.44 g/mol
LogP1.81
Rot. Bonds6

About N,N-diethyl-2-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide

N,N-diethyl-2-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 95261573) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N,N-diethyl-2-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID95261573
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN,N-diethyl-2-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC[C@H]1CN1CCCCC1
InChIInChI=1S/C16H31N3O/c1-3-18(4-2)16(20)14-19-12-8-9-15(19)13-17-10-6-5-7-11-17/h15H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyHNYRHXKJWYIBLB-HNNXBMFYSA-N
XLogP1.81
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733674
2-[2-(aminomethyl)piperidin-1-yl]-N,N-diethylacetamide;hydrochloride
CID 120869605
N,N-diethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546901
2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N,N-diethylacetamide
CID 63849748
1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441021
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N,N-diethylacetamide
CID 95616410
1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385879
1-[(1-propylpyrrolidin-2-yl)methyl]piperidine
CID 15626361
N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942251
2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide
CID 116637269
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide (CID 95261573) is N,N-diethyl-2-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide is CCN(CC)C(=O)CN1CCC[C@H]1CN1CCCCC1.
What is the InChIKey of N,N-diethyl-2-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is HNYRHXKJWYIBLB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-18(4-2)16(20)14-19-12-8-9-15(19)13-17-10-6-5-7-11-17/h15H,3-14H2,1-2H3/t15-/m0/s1.
What are the key properties of N,N-diethyl-2-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide?
N,N-diethyl-2-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95261573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).