N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide

C25H37N5O — CID 42289849

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccccc1CN1CCC(N2CCC(C(=O)N(C)Cc3nccn3C)CC2)CC1
InChIInChI=1S/C25H37N5O/c1-20-6-4-5-7-22(20)18-29-13-10-23(11-14-29)30-15-8-21(9-16-30)25(31)28(3)19-24-26-12-17-27(24)2/h4-7,12,17,21,23H,8-11,13-16,18-19H2,1-3H3
InChIKeyGOLQLQSXMLPIQU-UHFFFAOYSA-N
MW423.61 g/mol
LogP3.06
Rot. Bonds6

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 42289849) has the molecular formula C25H37N5O and a molecular weight of 423.61 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID42289849
Molecular FormulaC25H37N5O
Molecular Weight423.61 g/mol
Exact Mass423.30
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccccc1CN1CCC(N2CCC(C(=O)N(C)Cc3nccn3C)CC2)CC1
InChIInChI=1S/C25H37N5O/c1-20-6-4-5-7-22(20)18-29-13-10-23(11-14-29)30-15-8-21(9-16-30)25(31)28(3)19-24-26-12-17-27(24)2/h4-7,12,17,21,23H,8-11,13-16,18-19H2,1-3H3
InChIKeyGOLQLQSXMLPIQU-UHFFFAOYSA-N
XLogP3.06
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 54873646
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56862639
N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 56874677
N-ethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 42565339
N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42210941
1-[1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]-1,4-diazepan-5-one
CID 42376674
1-[(1-methylimidazol-2-yl)methyl]-4-[2-(2-methylphenyl)ethyl]piperazine
CID 46984988
2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzoic acid
CID 104601433
4-[1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carbonyl]-1,4-diazepane-1-carbaldehyde
CID 25294488
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
CID 42819430
2-[(2,3-dimethylbenzoyl)amino]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
CID 45192418

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide (CID 42289849) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide is Cc1ccccc1CN1CCC(N2CCC(C(=O)N(C)Cc3nccn3C)CC2)CC1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is GOLQLQSXMLPIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O/c1-20-6-4-5-7-22(20)18-29-13-10-23(11-14-29)30-15-8-21(9-16-30)25(31)28(3)19-24-26-12-17-27(24)2/h4-7,12,17,21,23H,8-11,13-16,18-19H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 423.61 g/mol, XLogP of 3.06, 6 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-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42289849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).