tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate

C18H35N3O2 — CID 103780871

IUPACtert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate
SMILESCC1CN(C)C(C)CC1NCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C18H35N3O2/c1-13-12-20(6)14(2)11-16(13)19-9-10-21(15-7-8-15)17(22)23-18(3,4)5/h13-16,19H,7-12H2,1-6H3
InChIKeyZSDNVRCPABQIEA-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.70
Rot. Bonds5

About tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate

tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate (PubChem CID 103780871) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate
PubChem CID103780871
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate
SMILESCC1CN(C)C(C)CC1NCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C18H35N3O2/c1-13-12-20(6)14(2)11-16(13)19-9-10-21(15-7-8-15)17(22)23-18(3,4)5/h13-16,19H,7-12H2,1-6H3
InChIKeyZSDNVRCPABQIEA-UHFFFAOYSA-N
XLogP2.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-cyclopropyl-N-[2-[(2-methylthian-3-yl)amino]ethyl]carbamate
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tert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate
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tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate
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tert-butyl N-cyclopropyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]carbamate
CID 111145282
tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate (CID 103780871) is tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate is CC1CN(C)C(C)CC1NCCN(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate?
The InChIKey is ZSDNVRCPABQIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-13-12-20(6)14(2)11-16(13)19-9-10-21(15-7-8-15)17(22)23-18(3,4)5/h13-16,19H,7-12H2,1-6H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate?
tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate has a molecular weight of 325.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate is sourced from PubChem (CID 103780871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).