1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one

C19H33N3O3 — CID 42693440

IUPAC1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C19H33N3O3/c1-2-3-18(23)21-10-6-17(7-11-21)20-8-4-16(5-9-20)19(24)22-12-14-25-15-13-22/h16-17H,2-15H2,1H3
InChIKeyYIJRRTZIWRQYEA-UHFFFAOYSA-N
MW351.49 g/mol
LogP1.35
Rot. Bonds4

About 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one

1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one (PubChem CID 42693440) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
PubChem CID42693440
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C19H33N3O3/c1-2-3-18(23)21-10-6-17(7-11-21)20-8-4-16(5-9-20)19(24)22-12-14-25-15-13-22/h16-17H,2-15H2,1H3
InChIKeyYIJRRTZIWRQYEA-UHFFFAOYSA-N
XLogP1.35
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424
morpholin-4-yl-[1-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 25368630
[1-[1-[(2R)-1-ethylpiperidine-2-carbonyl]piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 95550011
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
CID 54447693
(4-ethylpiperidin-1-yl)-(4-morpholin-4-ylcyclohexyl)methanone
CID 126834550
1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 171675938
[1-(3,3-dimethylcyclopentyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 154564551
3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693420
3,3-dimethyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42881246
[1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 42693463
[1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 42457414
1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide
CID 171675830

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one (CID 42693440) is 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
The InChIKey is YIJRRTZIWRQYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-2-3-18(23)21-10-6-17(7-11-21)20-8-4-16(5-9-20)19(24)22-12-14-25-15-13-22/h16-17H,2-15H2,1H3.
What are the key properties of 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one has a molecular weight of 351.49 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 42693440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).