1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one

C25H37N3O3 — CID 55845373

IUPAC1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(C(=O)N2CCC(CN3CCOCC3)CC2)CC1
InChIInChI=1S/C25H37N3O3/c29-24(7-6-21-4-2-1-3-5-21)27-14-10-23(11-15-27)25(30)28-12-8-22(9-13-28)20-26-16-18-31-19-17-26/h1-5,22-23H,6-20H2
InChIKeyXXYDDTNWBCQECZ-UHFFFAOYSA-N
MW427.59 g/mol
LogP2.43
Rot. Bonds6

About 1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one

1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 55845373) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is 1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID55845373
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC Name1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(C(=O)N2CCC(CN3CCOCC3)CC2)CC1
InChIInChI=1S/C25H37N3O3/c29-24(7-6-21-4-2-1-3-5-21)27-14-10-23(11-15-27)25(30)28-12-8-22(9-13-28)20-26-16-18-31-19-17-26/h1-5,22-23H,6-20H2
InChIKeyXXYDDTNWBCQECZ-UHFFFAOYSA-N
XLogP2.43
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one (CID 55845373) is 1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCC(C(=O)N2CCC(CN3CCOCC3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is XXYDDTNWBCQECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3/c29-24(7-6-21-4-2-1-3-5-21)27-14-10-23(11-15-27)25(30)28-12-8-22(9-13-28)20-26-16-18-31-19-17-26/h1-5,22-23H,6-20H2.
What are the key properties of 1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 427.59 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 55845373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).