1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide

C18H20N4O3 — CID 91816326

IUPAC1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(OCc3ccccc3)ncn2)CC1
InChIInChI=1S/C18H20N4O3/c19-17(23)14-6-8-22(9-7-14)18(24)15-10-16(21-12-20-15)25-11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H2,19,23)
InChIKeyKLQUMJLRROLGDU-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.39
Rot. Bonds5

About 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide

1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide (PubChem CID 91816326) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide
PubChem CID91816326
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(OCc3ccccc3)ncn2)CC1
InChIInChI=1S/C18H20N4O3/c19-17(23)14-6-8-22(9-7-14)18(24)15-10-16(21-12-20-15)25-11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H2,19,23)
InChIKeyKLQUMJLRROLGDU-UHFFFAOYSA-N
XLogP1.39
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 56798532
ethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate
CID 121167757
oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone
CID 121168031
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-(6-phenylmethoxypyrimidin-4-yl)methanone
CID 121167892
ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 47069831
1-[2-(2-phenylmethoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 119125469
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
CID 27281872
(4-benzylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone
CID 121167503
1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide
CID 31302458
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642413
1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120533820

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide (CID 91816326) is 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cc(OCc3ccccc3)ncn2)CC1.
What is the InChIKey of 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is KLQUMJLRROLGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c19-17(23)14-6-8-22(9-7-14)18(24)15-10-16(21-12-20-15)25-11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H2,19,23).
What are the key properties of 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide?
1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 91816326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).