tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate

C17H33N3O2 — CID 107251466

IUPACtert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCC1CCCCN1
InChIInChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)20-11-13-7-6-9-15(13)19-12-14-8-4-5-10-18-14/h13-15,18-19H,4-12H2,1-3H3,(H,20,21)
InChIKeyBJCDYPNLAQMTCP-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.41
Rot. Bonds5

About tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate

tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate (PubChem CID 107251466) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate
PubChem CID107251466
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Nametert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCC1CCCCN1
InChIInChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)20-11-13-7-6-9-15(13)19-12-14-8-4-5-10-18-14/h13-15,18-19H,4-12H2,1-3H3,(H,20,21)
InChIKeyBJCDYPNLAQMTCP-UHFFFAOYSA-N
XLogP2.41
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251471
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate
CID 107244141
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate
CID 107446347
tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695505
tert-butyl N-[[2-[(1-methylpiperidin-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695749
tert-butyl N-[[2-(2-methylprop-2-enylamino)cyclopentyl]methyl]carbamate
CID 114615598
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate (CID 107251466) is tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1NCC1CCCCN1.
What is the InChIKey of tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate?
The InChIKey is BJCDYPNLAQMTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)20-11-13-7-6-9-15(13)19-12-14-8-4-5-10-18-14/h13-15,18-19H,4-12H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate has a molecular weight of 311.47 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 107251466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).