ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate

C19H27N3O3 — CID 41491893

IUPACethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)Nc2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C19H27N3O3/c1-2-25-19(24)22-13-9-15(10-14-22)18(23)20-16-5-7-17(8-6-16)21-11-3-4-12-21/h5-8,15H,2-4,9-14H2,1H3,(H,20,23)
InChIKeyBDRFUHSPNHGSAA-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.09
Rot. Bonds4

About ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate

ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 41491893) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID41491893
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nameethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)Nc2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C19H27N3O3/c1-2-25-19(24)22-13-9-15(10-14-22)18(23)20-16-5-7-17(8-6-16)21-11-3-4-12-21/h5-8,15H,2-4,9-14H2,1H3,(H,20,23)
InChIKeyBDRFUHSPNHGSAA-UHFFFAOYSA-N
XLogP3.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.09
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

ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 26288905
ethyl 1-[[4-[(1-ethoxycarbonylpiperidine-4-carbonyl)amino]phenyl]carbamoyl]piperidine-4-carboxylate
CID 3240420
ethyl 4-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-1-carboxylate
CID 26289068
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
ethyl 4-[4-(oxolane-2-carbonylamino)phenyl]piperazine-1-carboxylate
CID 112984376
ethyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)acetyl]piperidine-4-carboxylate
CID 108504241
ethyl 4-[3-oxo-3-(4-piperidin-1-ylanilino)propyl]piperazine-1-carboxylate
CID 109029182
1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide
CID 110668128
1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 39446044
benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365789

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate (CID 41491893) is ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)Nc2ccc(N3CCCC3)cc2)CC1.
What is the InChIKey of ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is BDRFUHSPNHGSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-25-19(24)22-13-9-15(10-14-22)18(23)20-16-5-7-17(8-6-16)21-11-3-4-12-21/h5-8,15H,2-4,9-14H2,1H3,(H,20,23).
What are the key properties of ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate?
ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 41491893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).