N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

C20H35N5O — CID 56862639

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCC(N2CCCC(C(=O)N(C)Cc3nccn3C)C2)CC1
InChIInChI=1S/C20H35N5O/c1-16(2)24-11-7-18(8-12-24)25-10-5-6-17(14-25)20(26)23(4)15-19-21-9-13-22(19)3/h9,13,16-18H,5-8,10-12,14-15H2,1-4H3
InChIKeyUBHDJEIGUOJKCX-UHFFFAOYSA-N
MW361.53 g/mol
LogP1.96
Rot. Bonds5

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 56862639) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID56862639
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCC(N2CCCC(C(=O)N(C)Cc3nccn3C)C2)CC1
InChIInChI=1S/C20H35N5O/c1-16(2)24-11-7-18(8-12-24)25-10-5-6-17(14-25)20(26)23(4)15-19-21-9-13-22(19)3/h9,13,16-18H,5-8,10-12,14-15H2,1-4H3
InChIKeyUBHDJEIGUOJKCX-UHFFFAOYSA-N
XLogP1.96
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95556906
N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 54873646
[(3S)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95549340
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42289849
(2S)-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 63027065
[(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 97202242
(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 95557482
(3R)-N-methyl-1-(oxan-4-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 125176171
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600
N-methyl-N-(pyridin-3-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70776101
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70710902
N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 45247244

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (CID 56862639) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is CC(C)N1CCC(N2CCCC(C(=O)N(C)Cc3nccn3C)C2)CC1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is UBHDJEIGUOJKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-16(2)24-11-7-18(8-12-24)25-10-5-6-17(14-25)20(26)23(4)15-19-21-9-13-22(19)3/h9,13,16-18H,5-8,10-12,14-15H2,1-4H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 361.53 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 56862639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).