2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide

C21H31N5O3 — CID 95524873

IUPAC2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)c1
InChIInChI=1S/C21H31N5O3/c22-20(27)16-3-6-23-19(14-16)24-8-4-18(5-9-24)26-7-1-2-17(15-26)21(28)25-10-12-29-13-11-25/h3,6,14,17-18H,1-2,4-5,7-13,15H2,(H2,22,27)/t17-/m0/s1
InChIKeyVGUWFTCVHVEDMY-KRWDZBQOSA-N
MW401.51 g/mol
LogP0.72
Rot. Bonds4

About 2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide

2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 95524873) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide
PubChem CID95524873
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC Name2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)c1
InChIInChI=1S/C21H31N5O3/c22-20(27)16-3-6-23-19(14-16)24-8-4-18(5-9-24)26-7-1-2-17(15-26)21(28)25-10-12-29-13-11-25/h3,6,14,17-18H,1-2,4-5,7-13,15H2,(H2,22,27)/t17-/m0/s1
InChIKeyVGUWFTCVHVEDMY-KRWDZBQOSA-N
XLogP0.72
TPSA92.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

2-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 56879348
[(3S)-1-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95557506
[(3R)-1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95539383
1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone
CID 95445127
morpholin-4-yl-[(3S)-1-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95549789
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56864340
2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 95402787
[(3S)-1-[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95509656
[(3S)-1-[1-(2-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95551659
[(3R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95463751
2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 71996494
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyridine-4-carboxamide
CID 117083309

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide (CID 95524873) is 2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide is NC(=O)c1ccnc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)c1.
What is the InChIKey of 2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is VGUWFTCVHVEDMY-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H31N5O3/c22-20(27)16-3-6-23-19(14-16)24-8-4-18(5-9-24)26-7-1-2-17(15-26)21(28)25-10-12-29-13-11-25/h3,6,14,17-18H,1-2,4-5,7-13,15H2,(H2,22,27)/t17-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide?
2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 95524873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).