ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate

C20H31N3O3 — CID 60547124

IUPACethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NC(Cc2ccccc2)CN(C)C)CC1
InChIInChI=1S/C20H31N3O3/c1-4-26-19(24)17-10-12-23(13-11-17)20(25)21-18(15-22(2)3)14-16-8-6-5-7-9-16/h5-9,17-18H,4,10-15H2,1-3H3,(H,21,25)
InChIKeyJFKGITKNXFSDIJ-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.14
Rot. Bonds7

About ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate

ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate (PubChem CID 60547124) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate
PubChem CID60547124
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nameethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NC(Cc2ccccc2)CN(C)C)CC1
InChIInChI=1S/C20H31N3O3/c1-4-26-19(24)17-10-12-23(13-11-17)20(25)21-18(15-22(2)3)14-16-8-6-5-7-9-16/h5-9,17-18H,4,10-15H2,1-3H3,(H,21,25)
InChIKeyJFKGITKNXFSDIJ-UHFFFAOYSA-N
XLogP2.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide
CID 60547159
ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
CID 108867399
ethyl 4-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoylamino]piperidine-1-carboxylate
CID 60547220
ethyl 1-(1-chloro-2-phenylethyl)piperidine-4-carboxylate
CID 176726308
ethyl 1-[1-(4-hydroxyphenyl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
CID 60577832
ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60551232
ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 78780464
1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004823
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 107860839
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 30142685

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate (CID 60547124) is ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)NC(Cc2ccccc2)CN(C)C)CC1.
What is the InChIKey of ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate?
The InChIKey is JFKGITKNXFSDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-4-26-19(24)17-10-12-23(13-11-17)20(25)21-18(15-22(2)3)14-16-8-6-5-7-9-16/h5-9,17-18H,4,10-15H2,1-3H3,(H,21,25).
What are the key properties of ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate?
ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate has a molecular weight of 361.49 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 60547124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).