ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate

C21H30N2O4 — CID 42698854

IUPACethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate
SMILESCCCN(CCC(=O)N1CCCC(C(=O)OCC)C1)C(=O)c1ccccc1
InChIInChI=1S/C21H30N2O4/c1-3-13-22(20(25)17-9-6-5-7-10-17)15-12-19(24)23-14-8-11-18(16-23)21(26)27-4-2/h5-7,9-10,18H,3-4,8,11-16H2,1-2H3
InChIKeyKHRSFUZDPOVFHV-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.73
Rot. Bonds8

About ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate

ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate (PubChem CID 42698854) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate
PubChem CID42698854
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Nameethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate
SMILESCCCN(CCC(=O)N1CCCC(C(=O)OCC)C1)C(=O)c1ccccc1
InChIInChI=1S/C21H30N2O4/c1-3-13-22(20(25)17-9-6-5-7-10-17)15-12-19(24)23-14-8-11-18(16-23)21(26)27-4-2/h5-7,9-10,18H,3-4,8,11-16H2,1-2H3
InChIKeyKHRSFUZDPOVFHV-UHFFFAOYSA-N
XLogP2.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-[(4-chlorophenyl)carbamoyl-propylamino]propanoyl]piperidine-3-carboxylate
CID 42698716
ethyl 1-[3-[benzyl-(2,5-dimethylfuran-3-carbonyl)amino]propanoyl]piperidine-3-carboxylate
CID 4153618
ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate
CID 110838807
ethyl 1-[3-[(4-bromophenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate
CID 42700160
ethyl 1-[3-[(2,4-difluorophenyl)carbamoyl-propylamino]propanoyl]piperidine-3-carboxylate
CID 42698720
ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate
CID 78782540
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate
CID 3613076
ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate
CID 25163543
ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate
CID 30283843
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
ethyl 1-[2-[benzyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxylate
CID 56809362

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate (CID 42698854) is ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate is CCCN(CCC(=O)N1CCCC(C(=O)OCC)C1)C(=O)c1ccccc1.
What is the InChIKey of ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate?
The InChIKey is KHRSFUZDPOVFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-3-13-22(20(25)17-9-6-5-7-10-17)15-12-19(24)23-14-8-11-18(16-23)21(26)27-4-2/h5-7,9-10,18H,3-4,8,11-16H2,1-2H3.
What are the key properties of ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate?
ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate has a molecular weight of 374.48 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 42698854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).