(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide

C15H24N4O2 — CID 95125854

IUPAC(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(c2cc(OC)ncn2)C1
InChIInChI=1S/C15H24N4O2/c1-4-18(5-2)15(20)12-7-6-8-19(10-12)13-9-14(21-3)17-11-16-13/h9,11-12H,4-8,10H2,1-3H3/t12-/m0/s1
InChIKeyZHTBEMOQMKHBBF-LBPRGKRZSA-N
MW292.38 g/mol
LogP1.57
Rot. Bonds5

About (3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide

(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 95125854) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID95125854
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(c2cc(OC)ncn2)C1
InChIInChI=1S/C15H24N4O2/c1-4-18(5-2)15(20)12-7-6-8-19(10-12)13-9-14(21-3)17-11-16-13/h9,11-12H,4-8,10H2,1-3H3/t12-/m0/s1
InChIKeyZHTBEMOQMKHBBF-LBPRGKRZSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(6-methoxypyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71922412
1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 66570081
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 117093679
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide
CID 117090636
ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate
CID 66332836
1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 84590457
(3R)-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 97245441
2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814254
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 43066238
1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171700843
1-(6-cyanopyrazin-2-yl)-N,N-diethylpiperidine-3-carboxamide
CID 132776180
N,N-diethyl-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidine-3-carboxamide
CID 46988138

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide (CID 95125854) is (3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide is CCN(CC)C(=O)[C@H]1CCCN(c2cc(OC)ncn2)C1.
What is the InChIKey of (3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is ZHTBEMOQMKHBBF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-18(5-2)15(20)12-7-6-8-19(10-12)13-9-14(21-3)17-11-16-13/h9,11-12H,4-8,10H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide?
(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95125854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).