N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide

C25H33N3O2 — CID 1066044

IUPACN,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C25H33N3O2/c1-4-19-10-12-20(13-11-19)24(29)26-21-14-15-23(28-16-8-7-9-17-28)22(18-21)25(30)27(5-2)6-3/h10-15,18H,4-9,16-17H2,1-3H3,(H,26,29)
InChIKeyTUVAKPGETYETDP-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.97
Rot. Bonds7

About N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide

N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide (PubChem CID 1066044) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide
PubChem CID1066044
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C25H33N3O2/c1-4-19-10-12-20(13-11-19)24(29)26-21-14-15-23(28-16-8-7-9-17-28)22(18-21)25(30)27(5-2)6-3/h10-15,18H,4-9,16-17H2,1-3H3,(H,26,29)
InChIKeyTUVAKPGETYETDP-UHFFFAOYSA-N
XLogP4.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.97
H-Bond Donors ≤ 51
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

5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1066011
5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 42757077
N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3374189
5-[(4-ethylbenzoyl)amino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 5135806
N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 1059189
N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066991
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 1066031
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide
CID 1066015
5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 771581
5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1066980
N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 3291960
5-benzamido-2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N,N-diethylbenzamide
CID 42675254

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide (CID 1066044) is N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide is CCc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)N(CC)CC)c2)cc1.
What is the InChIKey of N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide?
The InChIKey is TUVAKPGETYETDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-4-19-10-12-20(13-11-19)24(29)26-21-14-15-23(28-16-8-7-9-17-28)22(18-21)25(30)27(5-2)6-3/h10-15,18H,4-9,16-17H2,1-3H3,(H,26,29).
What are the key properties of N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide?
N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide has a molecular weight of 407.56 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 1066044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).