(3S)-4-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide

C20H33N5O2 — CID 171359641

IUPAC(3S)-4-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide
SMILESCCCCN1CCOC[C@H]1C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C20H33N5O2/c1-4-5-8-24-11-12-27-14-18(24)20(26)23-17-6-9-25(10-7-17)19-13-15(2)21-16(3)22-19/h13,17-18H,4-12,14H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKeyQYXJUGIAWBBRDX-SFHVURJKSA-N
MW375.52 g/mol
LogP1.68
Rot. Bonds6

About (3S)-4-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide

(3S)-4-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide (PubChem CID 171359641) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is (3S)-4-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide
PubChem CID171359641
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name(3S)-4-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide
SMILESCCCCN1CCOC[C@H]1C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C20H33N5O2/c1-4-5-8-24-11-12-27-14-18(24)20(26)23-17-6-9-25(10-7-17)19-13-15(2)21-16(3)22-19/h13,17-18H,4-12,14H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKeyQYXJUGIAWBBRDX-SFHVURJKSA-N
XLogP1.68
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide?
The IUPAC name of (3S)-4-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide (CID 171359641) is (3S)-4-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-4-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide is CCCCN1CCOC[C@H]1C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1.
What is the InChIKey of (3S)-4-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide?
The InChIKey is QYXJUGIAWBBRDX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-4-5-8-24-11-12-27-14-18(24)20(26)23-17-6-9-25(10-7-17)19-13-15(2)21-16(3)22-19/h13,17-18H,4-12,14H2,1-3H3,(H,23,26)/t18-/m0/s1.
What are the key properties of (3S)-4-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide?
(3S)-4-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide is sourced from PubChem (CID 171359641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).