1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide

C22H31N5O2 — CID 55718362

IUPAC1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)NC(c2ccccc2)c2nccn2C)CC1
InChIInChI=1S/C22H31N5O2/c1-4-26(5-2)22(29)27-14-11-18(12-15-27)21(28)24-19(17-9-7-6-8-10-17)20-23-13-16-25(20)3/h6-10,13,16,18-19H,4-5,11-12,14-15H2,1-3H3,(H,24,28)
InChIKeyVJNSBCWHTWWEDI-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.80
Rot. Bonds6

About 1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide

1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide (PubChem CID 55718362) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide
PubChem CID55718362
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)NC(c2ccccc2)c2nccn2C)CC1
InChIInChI=1S/C22H31N5O2/c1-4-26(5-2)22(29)27-14-11-18(12-15-27)21(28)24-19(17-9-7-6-8-10-17)20-23-13-16-25(20)3/h6-10,13,16,18-19H,4-5,11-12,14-15H2,1-3H3,(H,24,28)
InChIKeyVJNSBCWHTWWEDI-UHFFFAOYSA-N
XLogP2.80
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
1-(4-chlorophenyl)sulfonyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-4-carboxamide
CID 25366246
(1S)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohex-3-ene-1-carboxamide
CID 25341556
4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55683199
N-[(1-methylimidazol-2-yl)-phenylmethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 46513298
1-(3,4-dimethylphenyl)sulfonyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-4-carboxamide
CID 25367078
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
1-ethylsulfonyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 17496386
1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
CID 95908638
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 25341765
(3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide
CID 51927315
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 110429513

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide (CID 55718362) is 1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide is CCN(CC)C(=O)N1CCC(C(=O)NC(c2ccccc2)c2nccn2C)CC1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide?
The InChIKey is VJNSBCWHTWWEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-4-26(5-2)22(29)27-14-11-18(12-15-27)21(28)24-19(17-9-7-6-8-10-17)20-23-13-16-25(20)3/h6-10,13,16,18-19H,4-5,11-12,14-15H2,1-3H3,(H,24,28).
What are the key properties of 1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide?
1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 55718362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).