ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate

C19H28N2O3 — CID 75455716

IUPACethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)C1(C)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c1-3-24-17(22)9-12-20-18(23)19(2)10-13-21(14-11-19)15-16-7-5-4-6-8-16/h4-8H,3,9-15H2,1-2H3,(H,20,23)
InChIKeyMVXIZHXIAOUMBI-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.36
Rot. Bonds7

About ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate

ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate (PubChem CID 75455716) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate
PubChem CID75455716
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nameethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)C1(C)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c1-3-24-17(22)9-12-20-18(23)19(2)10-13-21(14-11-19)15-16-7-5-4-6-8-16/h4-8H,3,9-15H2,1-2H3,(H,20,23)
InChIKeyMVXIZHXIAOUMBI-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]carbamate
CID 110287347
ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate
CID 22360002
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
4-amino-1-benzylpiperidine-4-carbohydrazide
CID 21495768
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
ethyl 3-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]amino]propanoate
CID 17174332
1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide
CID 86816799
1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 119901973
ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate
CID 11277813
ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate
CID 3044661
ethyl 1-benzyl-4-ethylsulfonylpiperidine-4-carboxylate
CID 99997104

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate (CID 75455716) is ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate is CCOC(=O)CCNC(=O)C1(C)CCN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate?
The InChIKey is MVXIZHXIAOUMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-24-17(22)9-12-20-18(23)19(2)10-13-21(14-11-19)15-16-7-5-4-6-8-16/h4-8H,3,9-15H2,1-2H3,(H,20,23).
What are the key properties of ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate?
ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate has a molecular weight of 332.44 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 75455716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).