N-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide

C18H30N4O3S — CID 72931230

IUPACN-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide
SMILESCN(CCC(=O)N1CCCC(c2nccn2CC2CCC2)C1)S(C)(=O)=O
InChIInChI=1S/C18H30N4O3S/c1-20(26(2,24)25)11-8-17(23)21-10-4-7-16(14-21)18-19-9-12-22(18)13-15-5-3-6-15/h9,12,15-16H,3-8,10-11,13-14H2,1-2H3
InChIKeyDTWZMJSVYLXGSO-UHFFFAOYSA-N
MW382.53 g/mol
LogP1.67
Rot. Bonds7

About N-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide

N-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide (PubChem CID 72931230) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide
PubChem CID72931230
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC NameN-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide
SMILESCN(CCC(=O)N1CCCC(c2nccn2CC2CCC2)C1)S(C)(=O)=O
InChIInChI=1S/C18H30N4O3S/c1-20(26(2,24)25)11-8-17(23)21-10-4-7-16(14-21)18-19-9-12-22(18)13-15-5-3-6-15/h9,12,15-16H,3-8,10-11,13-14H2,1-2H3
InChIKeyDTWZMJSVYLXGSO-UHFFFAOYSA-N
XLogP1.67
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 70778833
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one
CID 72903798
[2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea
CID 97202256
1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 97191099
1-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 97283837
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 72916265
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 72882886
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 72941096
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72903624
1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 97187343
1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 97269070
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 72894557

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide (CID 72931230) is N-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide is CN(CCC(=O)N1CCCC(c2nccn2CC2CCC2)C1)S(C)(=O)=O.
What is the InChIKey of N-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide?
The InChIKey is DTWZMJSVYLXGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-20(26(2,24)25)11-8-17(23)21-10-4-7-16(14-21)18-19-9-12-22(18)13-15-5-3-6-15/h9,12,15-16H,3-8,10-11,13-14H2,1-2H3.
What are the key properties of N-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide?
N-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide has a molecular weight of 382.53 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 72931230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).