1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide

C20H29N3O3 — CID 31778030

IUPAC1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C20H29N3O3/c1-15(2)20(25)23-9-7-16(8-10-23)19(24)21-17-3-5-18(6-4-17)22-11-13-26-14-12-22/h3-6,15-16H,7-14H2,1-2H3,(H,21,24)
InChIKeyLJWVLQSGXGMIQR-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.36
Rot. Bonds4

About 1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide

1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide (PubChem CID 31778030) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
PubChem CID31778030
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C20H29N3O3/c1-15(2)20(25)23-9-7-16(8-10-23)19(24)21-17-3-5-18(6-4-17)22-11-13-26-14-12-22/h3-6,15-16H,7-14H2,1-2H3,(H,21,24)
InChIKeyLJWVLQSGXGMIQR-UHFFFAOYSA-N
XLogP2.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpropanoyl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide
CID 33448100
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 1055952
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
1-(2-methylpropanoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide
CID 131904149
4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 71040468
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid
CID 119252463
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 47025310
2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
CID 772363
N-(3,4-dimethoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32676956
1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 100522699

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide (CID 31778030) is 1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The InChIKey is LJWVLQSGXGMIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15(2)20(25)23-9-7-16(8-10-23)19(24)21-17-3-5-18(6-4-17)22-11-13-26-14-12-22/h3-6,15-16H,7-14H2,1-2H3,(H,21,24).
What are the key properties of 1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 31778030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).