N-(3-morpholin-4-ylpropyl)-4-phenyl-N-piperidin-3-ylbutanamide;hydrochloride

C22H36ClN3O2 — CID 146065225

IUPACN-(3-morpholin-4-ylpropyl)-4-phenyl-N-piperidin-3-ylbutanamide;hydrochloride
SMILESCl.O=C(CCCc1ccccc1)N(CCCN1CCOCC1)C1CCCNC1
InChIInChI=1S/C22H35N3O2.ClH/c26-22(11-4-9-20-7-2-1-3-8-20)25(21-10-5-12-23-19-21)14-6-13-24-15-17-27-18-16-24;/h1-3,7-8,21,23H,4-6,9-19H2;1H
InChIKeyOUNKHASQSNJSDC-UHFFFAOYSA-N
MW410.00 g/mol
LogP2.73
Rot. Bonds9

About N-(3-morpholin-4-ylpropyl)-4-phenyl-N-piperidin-3-ylbutanamide;hydrochloride

N-(3-morpholin-4-ylpropyl)-4-phenyl-N-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 146065225) has the molecular formula C22H36ClN3O2 and a molecular weight of 410.00 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-phenyl-N-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-phenyl-N-piperidin-3-ylbutanamide;hydrochloride
PubChem CID146065225
Molecular FormulaC22H36ClN3O2
Molecular Weight410.00 g/mol
Exact Mass409.25
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-phenyl-N-piperidin-3-ylbutanamide;hydrochloride
SMILESCl.O=C(CCCc1ccccc1)N(CCCN1CCOCC1)C1CCCNC1
InChIInChI=1S/C22H35N3O2.ClH/c26-22(11-4-9-20-7-2-1-3-8-20)25(21-10-5-12-23-19-21)14-6-13-24-15-17-27-18-16-24;/h1-3,7-8,21,23H,4-6,9-19H2;1H
InChIKeyOUNKHASQSNJSDC-UHFFFAOYSA-N
XLogP2.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.00
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-phenyl-N-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-phenyl-N-piperidin-3-ylbutanamide;hydrochloride (CID 146065225) is N-(3-morpholin-4-ylpropyl)-4-phenyl-N-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-phenyl-N-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-phenyl-N-piperidin-3-ylbutanamide;hydrochloride is Cl.O=C(CCCc1ccccc1)N(CCCN1CCOCC1)C1CCCNC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-phenyl-N-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is OUNKHASQSNJSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2.ClH/c26-22(11-4-9-20-7-2-1-3-8-20)25(21-10-5-12-23-19-21)14-6-13-24-15-17-27-18-16-24;/h1-3,7-8,21,23H,4-6,9-19H2;1H.
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-phenyl-N-piperidin-3-ylbutanamide;hydrochloride?
N-(3-morpholin-4-ylpropyl)-4-phenyl-N-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 410.00 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-phenyl-N-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 146065225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).