2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone

C16H27N5O — CID 56885339

IUPAC2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCn1ccnc1CN1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H27N5O/c1-18-8-5-17-15(18)13-19-9-11-20(12-10-19)14-16(22)21-6-3-2-4-7-21/h5,8H,2-4,6-7,9-14H2,1H3
InChIKeyJUFXJXMOWZYVGF-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.55
Rot. Bonds4

About 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 56885339) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID56885339
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCn1ccnc1CN1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H27N5O/c1-18-8-5-17-15(18)13-19-9-11-20(12-10-19)14-16(22)21-6-3-2-4-7-21/h5,8H,2-4,6-7,9-14H2,1H3
InChIKeyJUFXJXMOWZYVGF-UHFFFAOYSA-N
XLogP0.55
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 112843998
(2S)-1-(azepan-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 95273427
2-[3-[(1-methylimidazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 97451310
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
(2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 120872894
1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one
CID 90649454
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(oxan-3-yl)ethanone
CID 119064859
(2S)-2-amino-3-methyl-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]butan-1-one
CID 86784240
1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95337939
[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone
CID 26410975
[(3S)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95549340
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 86285845

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone (CID 56885339) is 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone is Cn1ccnc1CN1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is JUFXJXMOWZYVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-18-8-5-17-15(18)13-19-9-11-20(12-10-19)14-16(22)21-6-3-2-4-7-21/h5,8H,2-4,6-7,9-14H2,1H3.
What are the key properties of 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 305.43 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 56885339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).