tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate

C18H35N3O2 — CID 103082525

IUPACtert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate
SMILESCN1CCCC(NC2CCCCCC2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)20-16-11-7-5-6-10-15(16)19-14-9-8-12-21(4)13-14/h14-16,19H,5-13H2,1-4H3,(H,20,22)
InChIKeyPPKCWVDIQUZTFL-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.90
Rot. Bonds3

About tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate

tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate (PubChem CID 103082525) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate
PubChem CID103082525
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate
SMILESCN1CCCC(NC2CCCCCC2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)20-16-11-7-5-6-10-15(16)19-14-9-8-12-21(4)13-14/h14-16,19H,5-13H2,1-4H3,(H,20,22)
InChIKeyPPKCWVDIQUZTFL-UHFFFAOYSA-N
XLogP2.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate
CID 86794453
tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate
CID 103695447
tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate
CID 107244169
tert-butyl N-[7-[(1-methylpiperidin-3-yl)amino]-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate
CID 107255537
tert-butyl N-[2-(azepan-4-ylamino)cycloheptyl]carbamate
CID 107244081
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate
CID 107243613
tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate
CID 104624574
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
tert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate
CID 167292263
tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate
CID 67358949

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate (CID 103082525) is tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate is CN1CCCC(NC2CCCCCC2NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate?
The InChIKey is PPKCWVDIQUZTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)20-16-11-7-5-6-10-15(16)19-14-9-8-12-21(4)13-14/h14-16,19H,5-13H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate?
tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate has a molecular weight of 325.50 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate is sourced from PubChem (CID 103082525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).