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

C18H35N3O2 — CID 107244141

IUPACtert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCCC1NCC1CCCCN1
InChIInChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)21-16-11-6-4-5-10-15(16)20-13-14-9-7-8-12-19-14/h14-16,19-20H,4-13H2,1-3H3,(H,21,22)
InChIKeySJFWQJHKNALKLH-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.94
Rot. Bonds4

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

tert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate (PubChem CID 107244141) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate
PubChem CID107244141
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCCC1NCC1CCCCN1
InChIInChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)21-16-11-6-4-5-10-15(16)20-13-14-9-7-8-12-19-14/h14-16,19-20H,4-13H2,1-3H3,(H,21,22)
InChIKeySJFWQJHKNALKLH-UHFFFAOYSA-N
XLogP2.94
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate
CID 107251466
tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate
CID 107238327
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
CID 21251921
tert-butyl N-[2-(2,2-dimethoxyethylamino)cycloheptyl]carbamate
CID 107244083
tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate
CID 107244101
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[2-(piperidin-2-ylmethylamino)propyl]carbamate
CID 107248267
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate
CID 107237914
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate?
The IUPAC name of tert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate (CID 107244141) is tert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate is CC(C)(C)OC(=O)NC1CCCCCC1NCC1CCCCN1.
What is the InChIKey of tert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate?
The InChIKey is SJFWQJHKNALKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)21-16-11-6-4-5-10-15(16)20-13-14-9-7-8-12-19-14/h14-16,19-20H,4-13H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate?
tert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate has a molecular weight of 325.50 g/mol, XLogP of 2.94, 4 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)cycloheptyl]carbamate is sourced from PubChem (CID 107244141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).