3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate

C24H46N4O4 — CID 156847315

IUPAC3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate
SMILESO=C(NCCCCCCNC(=O)OCCCN1CCCCC1)OCCCN1CCCCC1
InChIInChI=1S/C24H46N4O4/c29-23(31-21-11-19-27-15-7-3-8-16-27)25-13-5-1-2-6-14-26-24(30)32-22-12-20-28-17-9-4-10-18-28/h1-22H2,(H,25,29)(H,26,30)
InChIKeyGEAYHNCLISHHQN-UHFFFAOYSA-N
MW454.66 g/mol
LogP3.75
Rot. Bonds15

About 3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate

3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate (PubChem CID 156847315) has the molecular formula C24H46N4O4 and a molecular weight of 454.66 g/mol. Its IUPAC name is 3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate.

Molecular Properties

Compound Name3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate
PubChem CID156847315
Molecular FormulaC24H46N4O4
Molecular Weight454.66 g/mol
Exact Mass454.35
IUPAC Name3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate
SMILESO=C(NCCCCCCNC(=O)OCCCN1CCCCC1)OCCCN1CCCCC1
InChIInChI=1S/C24H46N4O4/c29-23(31-21-11-19-27-15-7-3-8-16-27)25-13-5-1-2-6-14-26-24(30)32-22-12-20-28-17-9-4-10-18-28/h1-22H2,(H,25,29)(H,26,30)
InChIKeyGEAYHNCLISHHQN-UHFFFAOYSA-N
XLogP3.75
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.66
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-pyrrolidin-1-ylpropyl N-[6-(3-pyrrolidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847303
3-piperidin-1-ylpropyl N-octylcarbamate
CID 11417860
methyl N-(4-piperidin-1-ylbutyl)carbamate
CID 97356284
5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate
CID 10882540
8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate
CID 11825276
2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate
CID 21260148
N-[5-(azepan-1-yl)pentyl]acetamide
CID 110441166
2-(2-aminoethoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 79464083
3-piperidin-1-ylpropyl hydrogen carbonate
CID 23210465
N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
CID 110441883
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050
2-[2-(butylcarbamoyloxy)ethyl-(2-piperidin-1-ylethyl)amino]ethyl N-butylcarbamate;dihydrochloride
CID 67933469

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate?
The IUPAC name of 3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate (CID 156847315) is 3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate.
What is the SMILES notation for 3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate?
The canonical SMILES for 3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate is O=C(NCCCCCCNC(=O)OCCCN1CCCCC1)OCCCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate?
The InChIKey is GEAYHNCLISHHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4O4/c29-23(31-21-11-19-27-15-7-3-8-16-27)25-13-5-1-2-6-14-26-24(30)32-22-12-20-28-17-9-4-10-18-28/h1-22H2,(H,25,29)(H,26,30).
What are the key properties of 3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate?
3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate has a molecular weight of 454.66 g/mol, XLogP of 3.75, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate is sourced from PubChem (CID 156847315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).