N-(3-aminopropyl)-3-[4-[1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylpropanamide

C24H48N6O3 — CID 142765387

IUPACN-(3-aminopropyl)-3-[4-[1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCN1CCC(OC2CCN(CCC(=O)N(C)CCCN)CC2)CC1
InChIInChI=1S/C24H48N6O3/c1-27(13-3-11-25)23(31)9-19-29-15-5-21(6-16-29)33-22-7-17-30(18-8-22)20-10-24(32)28(2)14-4-12-26/h21-22H,3-20,25-26H2,1-2H3
InChIKeyAPRXCGPQHCXLPN-UHFFFAOYSA-N
MW468.69 g/mol
LogP0.33
Rot. Bonds14

About N-(3-aminopropyl)-3-[4-[1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylpropanamide

N-(3-aminopropyl)-3-[4-[1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylpropanamide (PubChem CID 142765387) has the molecular formula C24H48N6O3 and a molecular weight of 468.69 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[4-[1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[4-[1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylpropanamide
PubChem CID142765387
Molecular FormulaC24H48N6O3
Molecular Weight468.69 g/mol
Exact Mass468.38
IUPAC NameN-(3-aminopropyl)-3-[4-[1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCN1CCC(OC2CCN(CCC(=O)N(C)CCCN)CC2)CC1
InChIInChI=1S/C24H48N6O3/c1-27(13-3-11-25)23(31)9-19-29-15-5-21(6-16-29)33-22-7-17-30(18-8-22)20-10-24(32)28(2)14-4-12-26/h21-22H,3-20,25-26H2,1-2H3
InChIKeyAPRXCGPQHCXLPN-UHFFFAOYSA-N
XLogP0.33
TPSA108.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.69
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[4-[1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-[4-[1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylpropanamide (CID 142765387) is N-(3-aminopropyl)-3-[4-[1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-[4-[1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-[4-[1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylpropanamide is CN(CCCN)C(=O)CCN1CCC(OC2CCN(CCC(=O)N(C)CCCN)CC2)CC1.
What is the InChIKey of N-(3-aminopropyl)-3-[4-[1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylpropanamide?
The InChIKey is APRXCGPQHCXLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N6O3/c1-27(13-3-11-25)23(31)9-19-29-15-5-21(6-16-29)33-22-7-17-30(18-8-22)20-10-24(32)28(2)14-4-12-26/h21-22H,3-20,25-26H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-3-[4-[1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylpropanamide?
N-(3-aminopropyl)-3-[4-[1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylpropanamide has a molecular weight of 468.69 g/mol, XLogP of 0.33, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[4-[1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 142765387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).