(3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide

C17H27N5O2 — CID 124721716

IUPAC(3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide
SMILESCCc1cc(N2CCC[C@H](NC(=O)N3CCOC[C@H]3C)C2)ncn1
InChIInChI=1S/C17H27N5O2/c1-3-14-9-16(19-12-18-14)21-6-4-5-15(10-21)20-17(23)22-7-8-24-11-13(22)2/h9,12-13,15H,3-8,10-11H2,1-2H3,(H,20,23)/t13-,15+/m1/s1
InChIKeyAHPHSPFWRGGLRH-HIFRSBDPSA-N
MW333.44 g/mol
LogP1.44
Rot. Bonds3

About (3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide

(3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide (PubChem CID 124721716) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide
PubChem CID124721716
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide
SMILESCCc1cc(N2CCC[C@H](NC(=O)N3CCOC[C@H]3C)C2)ncn1
InChIInChI=1S/C17H27N5O2/c1-3-14-9-16(19-12-18-14)21-6-4-5-15(10-21)20-17(23)22-7-8-24-11-13(22)2/h9,12-13,15H,3-8,10-11H2,1-2H3,(H,20,23)/t13-,15+/m1/s1
InChIKeyAHPHSPFWRGGLRH-HIFRSBDPSA-N
XLogP1.44
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride
CID 120704514
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 62689410
N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 124626387
2-cyclopropyl-N-[(3R)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 129398654
4-[1-(6-ethylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 172905311
(3R)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)morpholine-4-carboxamide
CID 94060082
3-[[[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]amino]methyl]benzoic acid
CID 122031077
2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 53185796
tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 126849999
3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
CID 126769937

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide?
The IUPAC name of (3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide (CID 124721716) is (3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide?
The canonical SMILES for (3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide is CCc1cc(N2CCC[C@H](NC(=O)N3CCOC[C@H]3C)C2)ncn1.
What is the InChIKey of (3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide?
The InChIKey is AHPHSPFWRGGLRH-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-3-14-9-16(19-12-18-14)21-6-4-5-15(10-21)20-17(23)22-7-8-24-11-13(22)2/h9,12-13,15H,3-8,10-11H2,1-2H3,(H,20,23)/t13-,15+/m1/s1.
What are the key properties of (3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide?
(3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide is sourced from PubChem (CID 124721716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).