tert-butyl N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]carbamate

C18H35N3O2 — CID 67435611

IUPACtert-butyl N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)19-10-7-11-20-14-8-16(9-15-20)21-12-5-4-6-13-21/h16H,4-15H2,1-3H3,(H,19,22)
InChIKeyXKPNBCJZQKXUBZ-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.85
Rot. Bonds5

About tert-butyl N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]carbamate

tert-butyl N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]carbamate (PubChem CID 67435611) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]carbamate
PubChem CID67435611
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)19-10-7-11-20-14-8-16(9-15-20)21-12-5-4-6-13-21/h16H,4-15H2,1-3H3,(H,19,22)
InChIKeyXKPNBCJZQKXUBZ-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]carbamate (CID 67435611) is tert-butyl N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]carbamate is CC(C)(C)OC(=O)NCCCN1CCC(N2CCCCC2)CC1.
What is the InChIKey of tert-butyl N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]carbamate?
The InChIKey is XKPNBCJZQKXUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)19-10-7-11-20-14-8-16(9-15-20)21-12-5-4-6-13-21/h16H,4-15H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]carbamate?
tert-butyl N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]carbamate has a molecular weight of 325.50 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]carbamate is sourced from PubChem (CID 67435611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).