N-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide

C20H27N5O2 — CID 118773528

IUPACN-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCCC(Cn2ccnc2)C1
InChIInChI=1S/C20H27N5O2/c1-15-11-17(19(26)23(2)3)6-7-18(15)22-20(27)25-9-4-5-16(13-25)12-24-10-8-21-14-24/h6-8,10-11,14,16H,4-5,9,12-13H2,1-3H3,(H,22,27)
InChIKeyQICIYJAAHOYCMW-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.84
Rot. Bonds4

About N-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide

N-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 118773528) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID118773528
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCCC(Cn2ccnc2)C1
InChIInChI=1S/C20H27N5O2/c1-15-11-17(19(26)23(2)3)6-7-18(15)22-20(27)25-9-4-5-16(13-25)12-24-10-8-21-14-24/h6-8,10-11,14,16H,4-5,9,12-13H2,1-3H3,(H,22,27)
InChIKeyQICIYJAAHOYCMW-UHFFFAOYSA-N
XLogP2.84
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(imidazol-1-ylmethyl)-N-[2-[methyl(2-phenylethyl)amino]ethyl]piperidine-1-carboxamide
CID 126451945
(3S)-3-(imidazol-1-ylmethyl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]piperidine-1-carboxamide
CID 125171773
3-[1-[(4-carbamoyl-2-methylphenyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 146096658
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone
CID 90650856
1-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 91779161
(3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide
CID 125446744
methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate
CID 97284330
2-[1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62690811
[6-(azepan-1-yl)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 45228830
(2-hydroxy-5-pyrrol-1-ylphenyl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95200466
(3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 97436583
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 72923772

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide (CID 118773528) is N-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide is Cc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCCC(Cn2ccnc2)C1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is QICIYJAAHOYCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-11-17(19(26)23(2)3)6-7-18(15)22-20(27)25-9-4-5-16(13-25)12-24-10-8-21-14-24/h6-8,10-11,14,16H,4-5,9,12-13H2,1-3H3,(H,22,27).
What are the key properties of N-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide?
N-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 118773528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).