tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate

C18H35N3O2 — CID 103719839

IUPACtert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate
SMILESCC1CCN(CCNC2CCC(NC(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C18H35N3O2/c1-14-7-10-21(11-8-14)12-9-19-15-5-6-16(13-15)20-17(22)23-18(2,3)4/h14-16,19H,5-13H2,1-4H3,(H,20,22)
InChIKeyHRSWMXFPMHGEDY-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.75
Rot. Bonds5

About tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate

tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate (PubChem CID 103719839) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate
PubChem CID103719839
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate
SMILESCC1CCN(CCNC2CCC(NC(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C18H35N3O2/c1-14-7-10-21(11-8-14)12-9-19-15-5-6-16(13-15)20-17(22)23-18(2,3)4/h14-16,19H,5-13H2,1-4H3,(H,20,22)
InChIKeyHRSWMXFPMHGEDY-UHFFFAOYSA-N
XLogP2.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate
CID 103720174
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethylcarbamic acid
CID 90951819
tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate
CID 106233893
tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
CID 79461574
tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate
CID 115516381
tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate
CID 79462833
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
CID 79458834
tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
CID 158239331
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
CID 79461727

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate (CID 103719839) is tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate is CC1CCN(CCNC2CCC(NC(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate?
The InChIKey is HRSWMXFPMHGEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-14-7-10-21(11-8-14)12-9-19-15-5-6-16(13-15)20-17(22)23-18(2,3)4/h14-16,19H,5-13H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate?
tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate has a molecular weight of 325.50 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate is sourced from PubChem (CID 103719839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).