N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide

C22H28N4O2 — CID 55696566

IUPACN-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C22H28N4O2/c1-16(18-7-6-8-20(15-18)24-17(2)27)23-22(28)25-19-9-11-21(12-10-19)26-13-4-3-5-14-26/h6-12,15-16H,3-5,13-14H2,1-2H3,(H,24,27)(H2,23,25,28)
InChIKeyQSIFFQPUXJUBDK-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.52
Rot. Bonds5

About N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide

N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide (PubChem CID 55696566) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide
PubChem CID55696566
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C22H28N4O2/c1-16(18-7-6-8-20(15-18)24-17(2)27)23-22(28)25-19-9-11-21(12-10-19)26-13-4-3-5-14-26/h6-12,15-16H,3-5,13-14H2,1-2H3,(H,24,27)(H2,23,25,28)
InChIKeyQSIFFQPUXJUBDK-UHFFFAOYSA-N
XLogP4.52
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 51944255
N-[3-[1-[(4-phenylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032022
N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide
CID 51944566
1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea
CID 52509642
1-propan-2-yl-3-[4-(4-pyrrolidin-1-ylanilino)phenyl]urea
CID 112988776
N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
CID 46580283
2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109009928
1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-phenylurea
CID 95238427
1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
CID 71856059
4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113107336
4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide
CID 55834926
1-(3-chloro-4-piperidin-1-ylphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95686874

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide (CID 55696566) is N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NC(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide?
The InChIKey is QSIFFQPUXJUBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16(18-7-6-8-20(15-18)24-17(2)27)23-22(28)25-19-9-11-21(12-10-19)26-13-4-3-5-14-26/h6-12,15-16H,3-5,13-14H2,1-2H3,(H,24,27)(H2,23,25,28).
What are the key properties of N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide?
N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 4.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 55696566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).