N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

C28H26N4O3 — CID 60589795

IUPACN-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C28H26N4O3/c1-19-17-22(35-28-29-14-6-15-30-28)12-13-25(19)31-26(33)21-9-5-16-32(18-21)27(34)24-11-4-8-20-7-2-3-10-23(20)24/h2-4,6-8,10-15,17,21H,5,9,16,18H2,1H3,(H,31,33)
InChIKeyLMCNQLPWHWDGMM-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.22
Rot. Bonds5

About N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 60589795) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID60589795
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC NameN-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C28H26N4O3/c1-19-17-22(35-28-29-14-6-15-30-28)12-13-25(19)31-26(33)21-9-5-16-32(18-21)27(34)24-11-4-8-20-7-2-3-10-23(20)24/h2-4,6-8,10-15,17,21H,5,9,16,18H2,1H3,(H,31,33)
InChIKeyLMCNQLPWHWDGMM-UHFFFAOYSA-N
XLogP5.22
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46433629
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
N-(4-fluoro-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25492477
N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 50803874
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55956395
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46510601
N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55780129
3-amino-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 119753519
[(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 42215892
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (CID 60589795) is N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is Cc1cc(Oc2ncccn2)ccc1NC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is LMCNQLPWHWDGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-19-17-22(35-28-29-14-6-15-30-28)12-13-25(19)31-26(33)21-9-5-16-32(18-21)27(34)24-11-4-8-20-7-2-3-10-23(20)24/h2-4,6-8,10-15,17,21H,5,9,16,18H2,1H3,(H,31,33).
What are the key properties of N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 60589795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).