N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide

C27H35N3O3 — CID 23600948

IUPACN-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESO=C(CCc1ccccc1)N1CCC(C(=O)NCCN2CCOCC2)(c2ccccc2)CC1
InChIInChI=1S/C27H35N3O3/c31-25(12-11-23-7-3-1-4-8-23)30-16-13-27(14-17-30,24-9-5-2-6-10-24)26(32)28-15-18-29-19-21-33-22-20-29/h1-10H,11-22H2,(H,28,32)
InChIKeyWXDRWPCRZPVJFR-UHFFFAOYSA-N
MW449.60 g/mol
LogP2.63
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide

N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide (PubChem CID 23600948) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
PubChem CID23600948
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC NameN-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESO=C(CCc1ccccc1)N1CCC(C(=O)NCCN2CCOCC2)(c2ccccc2)CC1
InChIInChI=1S/C27H35N3O3/c31-25(12-11-23-7-3-1-4-8-23)30-16-13-27(14-17-30,24-9-5-2-6-10-24)26(32)28-15-18-29-19-21-33-22-20-29/h1-10H,11-22H2,(H,28,32)
InChIKeyWXDRWPCRZPVJFR-UHFFFAOYSA-N
XLogP2.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 23600335
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-phenyloxane-4-carboxamide
CID 121087464
1-phenyl-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide
CID 119448297
1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117440559
3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 23600523
1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110408174
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108973636
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 23600561

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide (CID 23600948) is N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide is O=C(CCc1ccccc1)N1CCC(C(=O)NCCN2CCOCC2)(c2ccccc2)CC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The InChIKey is WXDRWPCRZPVJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c31-25(12-11-23-7-3-1-4-8-23)30-16-13-27(14-17-30,24-9-5-2-6-10-24)26(32)28-15-18-29-19-21-33-22-20-29/h1-10H,11-22H2,(H,28,32).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 23600948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).