ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate

C20H29N3O3 — CID 60580696

IUPACethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NCc2ccccc2N2CCCC2)CC1
InChIInChI=1S/C20H29N3O3/c1-2-26-19(24)16-9-13-23(14-10-16)20(25)21-15-17-7-3-4-8-18(17)22-11-5-6-12-22/h3-4,7-8,16H,2,5-6,9-15H2,1H3,(H,21,25)
InChIKeyICAXYZQRMNTXAJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.77
Rot. Bonds5

About ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate

ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate (PubChem CID 60580696) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate
PubChem CID60580696
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Nameethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NCc2ccccc2N2CCCC2)CC1
InChIInChI=1S/C20H29N3O3/c1-2-26-19(24)16-9-13-23(14-10-16)20(25)21-15-17-7-3-4-8-18(17)22-11-5-6-12-22/h3-4,7-8,16H,2,5-6,9-15H2,1H3,(H,21,25)
InChIKeyICAXYZQRMNTXAJ-UHFFFAOYSA-N
XLogP2.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate
CID 48964132
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate
CID 54921193
ethyl 1-[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157737
4-(2-oxoimidazolidin-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]piperidine-1-carboxamide
CID 136521525
ethyl 1-[N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111154829
ethyl 1-[(2-hydroxyphenyl)carbamoyl]piperidine-4-carboxylate
CID 108871379
ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
CID 108867399
ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate
CID 110675946
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219
N-ethyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43221678

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate (CID 60580696) is ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)NCc2ccccc2N2CCCC2)CC1.
What is the InChIKey of ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate?
The InChIKey is ICAXYZQRMNTXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-26-19(24)16-9-13-23(14-10-16)20(25)21-15-17-7-3-4-8-18(17)22-11-5-6-12-22/h3-4,7-8,16H,2,5-6,9-15H2,1H3,(H,21,25).
What are the key properties of ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate?
ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 60580696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).