3-cyclopentyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one

C23H39N3O3 — CID 26406362

IUPAC3-cyclopentyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C23H39N3O3/c27-22(6-5-19-3-1-2-4-19)25-13-9-21(10-14-25)24-11-7-20(8-12-24)23(28)26-15-17-29-18-16-26/h19-21H,1-18H2
InChIKeyTZHXFHRUKVJJMQ-UHFFFAOYSA-N
MW405.58 g/mol
LogP2.52
Rot. Bonds5

About 3-cyclopentyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one

3-cyclopentyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 26406362) has the molecular formula C23H39N3O3 and a molecular weight of 405.58 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
PubChem CID26406362
Molecular FormulaC23H39N3O3
Molecular Weight405.58 g/mol
Exact Mass405.30
IUPAC Name3-cyclopentyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C23H39N3O3/c27-22(6-5-19-3-1-2-4-19)25-13-9-21(10-14-25)24-11-7-20(8-12-24)23(28)26-15-17-29-18-16-26/h19-21H,1-18H2
InChIKeyTZHXFHRUKVJJMQ-UHFFFAOYSA-N
XLogP2.52
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one (CID 26406362) is 3-cyclopentyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is TZHXFHRUKVJJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O3/c27-22(6-5-19-3-1-2-4-19)25-13-9-21(10-14-25)24-11-7-20(8-12-24)23(28)26-15-17-29-18-16-26/h19-21H,1-18H2.
What are the key properties of 3-cyclopentyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 405.58 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 26406362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).