N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide

C15H26N4O — CID 96576484

IUPACN,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC[C@H](c2nccn2C)C1
InChIInChI=1S/C15H26N4O/c1-4-19(5-2)14(20)12-18-9-6-7-13(11-18)15-16-8-10-17(15)3/h8,10,13H,4-7,9,11-12H2,1-3H3/t13-/m0/s1
InChIKeyAJTFYJNTEYBBMA-ZDUSSCGKSA-N
MW278.40 g/mol
LogP1.47
Rot. Bonds5

About N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide

N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 96576484) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide
PubChem CID96576484
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC[C@H](c2nccn2C)C1
InChIInChI=1S/C15H26N4O/c1-4-19(5-2)14(20)12-18-9-6-7-13(11-18)15-16-8-10-17(15)3/h8,10,13H,4-7,9,11-12H2,1-3H3/t13-/m0/s1
InChIKeyAJTFYJNTEYBBMA-ZDUSSCGKSA-N
XLogP1.47
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497
2-cyclopentyl-1-methylimidazole
CID 83382106
N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide
CID 97188445
N,N-dimethyl-2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide
CID 97188446
(3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96575384
3-(1-methylimidazol-2-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 70754233
[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 139012669
1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 91828668
1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385879
3-[2-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 96574064
2-methyl-4-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 70716382
2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 124872092

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide (CID 96576484) is N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide is CCN(CC)C(=O)CN1CCC[C@H](c2nccn2C)C1.
What is the InChIKey of N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is AJTFYJNTEYBBMA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-19(5-2)14(20)12-18-9-6-7-13(11-18)15-16-8-10-17(15)3/h8,10,13H,4-7,9,11-12H2,1-3H3/t13-/m0/s1.
What are the key properties of N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide?
N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 96576484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).