N-[(2R)-1-[[(2R)-1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide

C36H43N5O3 — CID 10210658

IUPACN-[(2R)-1-[[(2R)-1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESNCCCCNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1
InChIInChI=1S/C36H43N5O3/c37-17-5-6-18-39-35(43)32(23-25-11-13-27-7-1-3-9-30(27)21-25)41-36(44)33(40-34(42)29-15-19-38-20-16-29)24-26-12-14-28-8-2-4-10-31(28)22-26/h1-4,7-14,21-22,29,32-33,38H,5-6,15-20,23-24,37H2,(H,39,43)(H,40,42)(H,41,44)/t32-,33-/m1/s1
InChIKeyLPVJFAKKTGXFML-CZNDPXEESA-N
MW593.77 g/mol
LogP3.60
Rot. Bonds13

About N-[(2R)-1-[[(2R)-1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide

N-[(2R)-1-[[(2R)-1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 10210658) has the molecular formula C36H43N5O3 and a molecular weight of 593.77 g/mol. Its IUPAC name is N-[(2R)-1-[[(2R)-1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(2R)-1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID10210658
Molecular FormulaC36H43N5O3
Molecular Weight593.77 g/mol
Exact Mass593.34
IUPAC NameN-[(2R)-1-[[(2R)-1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESNCCCCNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1
InChIInChI=1S/C36H43N5O3/c37-17-5-6-18-39-35(43)32(23-25-11-13-27-7-1-3-9-30(27)21-25)41-36(44)33(40-34(42)29-15-19-38-20-16-29)24-26-12-14-28-8-2-4-10-31(28)22-26/h1-4,7-14,21-22,29,32-33,38H,5-6,15-20,23-24,37H2,(H,39,43)(H,40,42)(H,41,44)/t32-,33-/m1/s1
InChIKeyLPVJFAKKTGXFML-CZNDPXEESA-N
XLogP3.60
TPSA125.35 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.77
LogP ≤ 53.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2R)-1-[[(2R)-1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(2R)-1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(2R)-1-[[(2R)-1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 10210658) is N-[(2R)-1-[[(2R)-1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-[[(2R)-1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-[[(2R)-1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide is NCCCCNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1.
What is the InChIKey of N-[(2R)-1-[[(2R)-1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is LPVJFAKKTGXFML-CZNDPXEESA-N. The full InChI is InChI=1S/C36H43N5O3/c37-17-5-6-18-39-35(43)32(23-25-11-13-27-7-1-3-9-30(27)21-25)41-36(44)33(40-34(42)29-15-19-38-20-16-29)24-26-12-14-28-8-2-4-10-31(28)22-26/h1-4,7-14,21-22,29,32-33,38H,5-6,15-20,23-24,37H2,(H,39,43)(H,40,42)(H,41,44)/t32-,33-/m1/s1.
What are the key properties of N-[(2R)-1-[[(2R)-1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide?
N-[(2R)-1-[[(2R)-1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 593.77 g/mol, XLogP of 3.60, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(2R)-1-(4-aminobutylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 10210658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).