(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride

C32H45ClN4O3 — CID 45265888

IUPAC(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
SMILESCC(C)NC(=O)[C@@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)N)CC2)c2ccccc21.Cl
InChIInChI=1S/C32H44N4O3.ClH/c1-22(2)34-28(37)25-21-32(26-15-9-8-14-24(25)26)17-19-36(20-18-32)29(38)27(35-30(39)31(3,4)33)16-10-13-23-11-6-5-7-12-23;/h5-9,11-12,14-15,22,25,27H,10,13,16-21,33H2,1-4H3,(H,34,37)(H,35,39);1H/t25-,27-;/m1./s1
InChIKeyMUBAFYQPZPESFM-MKOQQXGASA-N
MW569.19 g/mol
LogP4.23
Rot. Bonds9

About (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride

(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride (PubChem CID 45265888) has the molecular formula C32H45ClN4O3 and a molecular weight of 569.19 g/mol. Its IUPAC name is (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
PubChem CID45265888
Molecular FormulaC32H45ClN4O3
Molecular Weight569.19 g/mol
Exact Mass568.32
IUPAC Name(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
SMILESCC(C)NC(=O)[C@@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)N)CC2)c2ccccc21.Cl
InChIInChI=1S/C32H44N4O3.ClH/c1-22(2)34-28(37)25-21-32(26-15-9-8-14-24(25)26)17-19-36(20-18-32)29(38)27(35-30(39)31(3,4)33)16-10-13-23-11-6-5-7-12-23;/h5-9,11-12,14-15,22,25,27H,10,13,16-21,33H2,1-4H3,(H,34,37)(H,35,39);1H/t25-,27-;/m1./s1
InChIKeyMUBAFYQPZPESFM-MKOQQXGASA-N
XLogP4.23
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.19
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride?
The IUPAC name of (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride (CID 45265888) is (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride.
What is the SMILES notation for (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride?
The canonical SMILES for (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride is CC(C)NC(=O)[C@@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)N)CC2)c2ccccc21.Cl.
What is the InChIKey of (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride?
The InChIKey is MUBAFYQPZPESFM-MKOQQXGASA-N. The full InChI is InChI=1S/C32H44N4O3.ClH/c1-22(2)34-28(37)25-21-32(26-15-9-8-14-24(25)26)17-19-36(20-18-32)29(38)27(35-30(39)31(3,4)33)16-10-13-23-11-6-5-7-12-23;/h5-9,11-12,14-15,22,25,27H,10,13,16-21,33H2,1-4H3,(H,34,37)(H,35,39);1H/t25-,27-;/m1./s1.
What are the key properties of (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride?
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride has a molecular weight of 569.19 g/mol, XLogP of 4.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride is sourced from PubChem (CID 45265888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).