tert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate

C16H30N4O4 — CID 108558938

IUPACtert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
SMILESCN(C)C(=O)N1CCC(NC(=O)CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O4/c1-16(2,3)24-14(22)17-9-6-13(21)18-12-7-10-20(11-8-12)15(23)19(4)5/h12H,6-11H2,1-5H3,(H,17,22)(H,18,21)
InChIKeyKSPQPXGIQHCYGI-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.16
Rot. Bonds4

About tert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate

tert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate (PubChem CID 108558938) has the molecular formula C16H30N4O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is tert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
PubChem CID108558938
Molecular FormulaC16H30N4O4
Molecular Weight342.44 g/mol
Exact Mass342.23
IUPAC Nametert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
SMILESCN(C)C(=O)N1CCC(NC(=O)CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O4/c1-16(2,3)24-14(22)17-9-6-13(21)18-12-7-10-20(11-8-12)15(23)19(4)5/h12H,6-11H2,1-5H3,(H,17,22)(H,18,21)
InChIKeyKSPQPXGIQHCYGI-UHFFFAOYSA-N
XLogP1.16
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558901
tert-butyl N-[3-oxo-3-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]propyl]carbamate
CID 108548224
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554
tert-butyl N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919724
tert-butyl N-[3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919722
tert-butyl N-[3-[[1-[(E)-4,4-dimethylpent-2-enoyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919770
tert-butyl N-[3-[(1-cyclobutylpiperidin-4-yl)amino]-3-oxopropyl]carbamate
CID 122152143
tert-butyl N-[3-oxo-3-[4-(pentanoylamino)piperidin-1-yl]propyl]carbamate
CID 108555481
tert-butyl N-[3-oxo-3-[[1-(2-sulfanylbenzoyl)piperidin-4-yl]amino]propyl]carbamate
CID 108548266
tert-butyl N-[3-oxo-3-(thian-4-ylamino)propyl]carbamate
CID 115599752
tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 113350804
tert-butyl N-[3-[[1-(2-bromobenzoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919588

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate (CID 108558938) is tert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate is CN(C)C(=O)N1CCC(NC(=O)CCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate?
The InChIKey is KSPQPXGIQHCYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4/c1-16(2,3)24-14(22)17-9-6-13(21)18-12-7-10-20(11-8-12)15(23)19(4)5/h12H,6-11H2,1-5H3,(H,17,22)(H,18,21).
What are the key properties of tert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate?
tert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate has a molecular weight of 342.44 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 108558938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).