tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate

C18H34N4O3 — CID 113350804

IUPACtert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate
SMILESCN(C)C(=O)N1CCC(NC(CNC(=O)OC(C)(C)C)C2CC2)CC1
InChIInChI=1S/C18H34N4O3/c1-18(2,3)25-16(23)19-12-15(13-6-7-13)20-14-8-10-22(11-9-14)17(24)21(4)5/h13-15,20H,6-12H2,1-5H3,(H,19,23)
InChIKeyYDRZXYKDVRHKAT-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.03
Rot. Bonds5

About tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate

tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate (PubChem CID 113350804) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate
PubChem CID113350804
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Nametert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate
SMILESCN(C)C(=O)N1CCC(NC(CNC(=O)OC(C)(C)C)C2CC2)CC1
InChIInChI=1S/C18H34N4O3/c1-18(2,3)25-16(23)19-12-15(13-6-7-13)20-14-8-10-22(11-9-14)17(24)21(4)5/h13-15,20H,6-12H2,1-5H3,(H,19,23)
InChIKeyYDRZXYKDVRHKAT-UHFFFAOYSA-N
XLogP2.03
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-cyclopropyl-2-[(1-oxothian-4-yl)amino]ethyl]carbamate
CID 107251822
tert-butyl N-[2-cyclopropyl-2-[(4-ethylcyclohexyl)amino]ethyl]carbamate
CID 103699773
tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558901
tert-butyl N-[2-cyclopropyl-2-[(1-methylpiperidin-3-yl)amino]ethyl]carbamate
CID 107251790
tert-butyl N-[3-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108558938
tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate
CID 107251793
tert-butyl N-[(2R)-2-cyclopropyl-2-[[2-(dimethylamino)-2-oxoethyl]amino]ethyl]carbamate
CID 124617896
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
4-(1-cyclopropylethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83198312
tert-butyl N-[2-cyclopropyl-2-[(3-ethylcyclohexyl)amino]ethyl]carbamate
CID 103699774

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate (CID 113350804) is tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate is CN(C)C(=O)N1CCC(NC(CNC(=O)OC(C)(C)C)C2CC2)CC1.
What is the InChIKey of tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate?
The InChIKey is YDRZXYKDVRHKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-18(2,3)25-16(23)19-12-15(13-6-7-13)20-14-8-10-22(11-9-14)17(24)21(4)5/h13-15,20H,6-12H2,1-5H3,(H,19,23).
What are the key properties of tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate?
tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate has a molecular weight of 354.50 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate is sourced from PubChem (CID 113350804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).