1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide

C24H40N4O4 — CID 171675938

IUPAC1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCN(C3CCN(C(=O)CC4CCOCC4)CC3)CC2)CC1
InChIInChI=1S/C24H40N4O4/c25-23(30)19-1-11-28(12-2-19)24(31)20-3-9-26(10-4-20)21-5-13-27(14-6-21)22(29)17-18-7-15-32-16-8-18/h18-21H,1-17H2,(H2,25,30)
InChIKeyJSCPVTBJDPKOHR-UHFFFAOYSA-N
MW448.61 g/mol
LogP1.23
Rot. Bonds5

About 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide

1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide (PubChem CID 171675938) has the molecular formula C24H40N4O4 and a molecular weight of 448.61 g/mol. Its IUPAC name is 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
PubChem CID171675938
Molecular FormulaC24H40N4O4
Molecular Weight448.61 g/mol
Exact Mass448.30
IUPAC Name1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCN(C3CCN(C(=O)CC4CCOCC4)CC3)CC2)CC1
InChIInChI=1S/C24H40N4O4/c25-23(30)19-1-11-28(12-2-19)24(31)20-3-9-26(10-4-20)21-5-13-27(14-6-21)22(29)17-18-7-15-32-16-8-18/h18-21H,1-17H2,(H2,25,30)
InChIKeyJSCPVTBJDPKOHR-UHFFFAOYSA-N
XLogP1.23
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide
CID 171675830
1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693440
1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 175660425
1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154006
morpholin-4-yl-[1-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 25368630
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 131933898
1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
CID 58615983
1-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 67032986
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
(4-ethylpiperidin-1-yl)-(4-morpholin-4-ylcyclohexyl)methanone
CID 126834550
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide (CID 171675938) is 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C2CCN(C3CCN(C(=O)CC4CCOCC4)CC3)CC2)CC1.
What is the InChIKey of 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is JSCPVTBJDPKOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O4/c25-23(30)19-1-11-28(12-2-19)24(31)20-3-9-26(10-4-20)21-5-13-27(14-6-21)22(29)17-18-7-15-32-16-8-18/h18-21H,1-17H2,(H2,25,30).
What are the key properties of 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide?
1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 448.61 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 171675938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).