N-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride

C20H30ClN3O3 — CID 119712326

IUPACN-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)C1CCCNC1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-15(17-5-3-7-21-14-17)12-19(24)22-18-6-2-4-16(13-18)20(25)23-8-10-26-11-9-23;/h2,4,6,13,15,17,21H,3,5,7-12,14H2,1H3,(H,22,24);1H
InChIKeyMQWKDYCCTLXNNJ-UHFFFAOYSA-N
MW395.93 g/mol
LogP2.55
Rot. Bonds5

About N-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119712326) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119712326
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC NameN-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)C1CCCNC1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-15(17-5-3-7-21-14-17)12-19(24)22-18-6-2-4-16(13-18)20(25)23-8-10-26-11-9-23;/h2,4,6,13,15,17,21H,3,5,7-12,14H2,1H3,(H,22,24);1H
InChIKeyMQWKDYCCTLXNNJ-UHFFFAOYSA-N
XLogP2.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119712378
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119750611
3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119870552
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119878401
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743910
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119712326) is N-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)C1CCCNC1.Cl.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is MQWKDYCCTLXNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c1-15(17-5-3-7-21-14-17)12-19(24)22-18-6-2-4-16(13-18)20(25)23-8-10-26-11-9-23;/h2,4,6,13,15,17,21H,3,5,7-12,14H2,1H3,(H,22,24);1H.
What are the key properties of N-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119712326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).