ethyl N-[1-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C17H29N3O4 — CID 46446243

IUPACethyl N-[1-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)N1CCC(NC(=O)C2CC2)CC1)C(C)C
InChIInChI=1S/C17H29N3O4/c1-4-24-17(23)19-14(11(2)3)16(22)20-9-7-13(8-10-20)18-15(21)12-5-6-12/h11-14H,4-10H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyJYQUEELIVIAHFS-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.27
Rot. Bonds6

About ethyl N-[1-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

ethyl N-[1-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 46446243) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is ethyl N-[1-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID46446243
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Nameethyl N-[1-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)N1CCC(NC(=O)C2CC2)CC1)C(C)C
InChIInChI=1S/C17H29N3O4/c1-4-24-17(23)19-14(11(2)3)16(22)20-9-7-13(8-10-20)18-15(21)12-5-6-12/h11-14H,4-10H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyJYQUEELIVIAHFS-UHFFFAOYSA-N
XLogP1.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate
CID 53384144
tert-butyl N-{1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl}carbamate
CID 66566325
Ethyl 4-(2-(tert-butylamino)-2-oxoacetamido)piperidine-1-carboxylate
CID 45497341
ethyl N-[1-[(2S)-1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 94816082
tert-butyl 4-[(2S)-1-[3-(cyclopropylmethoxy)propylamino]-1-oxopentan-2-yl]piperazine-1-carboxylate
CID 96521991
Tert-butyl 3-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-5-methylpiperidine-1-carboxylate
CID 126827282
N-(Boc-L-leucyl)piperidine
CID 11033868
2,2,2-trifluoroethyl N-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]carbamate
CID 53594511
2,2,2-trifluoroethyl N-[3-oxo-3-[(2R)-3-oxo-2-propan-2-ylpiperazin-1-yl]propyl]carbamate
CID 95315584
2,2,2-trifluoroethyl N-[3-oxo-3-[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]propyl]carbamate
CID 95315585
Ethyl 4-{[2-(ethylamino)-1-methyl-2-oxoethyl]amino}piperidine-1-carboxylate
CID 43086424
Ethyl 4-({[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetyl}amino)-1-piperidinecarboxylate
CID 45178351

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 46446243) is ethyl N-[1-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is CCOC(=O)NC(C(=O)N1CCC(NC(=O)C2CC2)CC1)C(C)C.
What is the InChIKey of ethyl N-[1-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is JYQUEELIVIAHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-4-24-17(23)19-14(11(2)3)16(22)20-9-7-13(8-10-20)18-15(21)12-5-6-12/h11-14H,4-10H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of ethyl N-[1-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
ethyl N-[1-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 339.44 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 46446243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).