(3R)-3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperidine-1-carboxamide;hydrochloride

C22H32ClN7O2 — CID 154651532

About (3R)-3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperidine-1-carboxamide;hydrochloride

(3R)-3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperidine-1-carboxamide;hydrochloride (PubChem CID 154651532) has the molecular formula C22H32ClN7O2 and a molecular weight of 462.00 g/mol. Its IUPAC name is (3R)-3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperidine-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (3R)-3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperidine-1-carboxamide;hydrochloride
• PubChem CID: 154651532
• Molecular Formula: C22H32ClN7O2
• Molecular Weight: 462.00 g/mol
• Exact Mass: 461.23
• IUPAC Name: (3R)-3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperidine-1-carboxamide;hydrochloride
• SMILES: Cl.NC1CCN(Cc2ccc(-n3ccc(NC(=O)N4CCC[C@@H](N)C4)nc3=O)cc2)CC1
• InChI: InChI=1S/C22H31N7O2.ClH/c23-17-7-11-27(12-8-17)14-16-3-5-19(6-4-16)29-13-9-20(26-22(29)31)25-21(30)28-10-1-2-18(24)15-28;/h3-6,9,13,17-18H,1-2,7-8,10-12,14-15,23-24H2,(H,25,26,30,31);1H/t18-;/m1./s1
• InChIKey: VHMPLKOFKLYHIP-GMUIIQOCSA-N
• XLogP: 1.53
• TPSA: 122.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.00
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperidine-1-carboxamide;hydrochloride?

The IUPAC name of (3R)-3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperidine-1-carboxamide;hydrochloride (CID 154651532) is (3R)-3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperidine-1-carboxamide;hydrochloride.

What is the SMILES notation for (3R)-3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperidine-1-carboxamide;hydrochloride?

The canonical SMILES for (3R)-3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperidine-1-carboxamide;hydrochloride is Cl.NC1CCN(Cc2ccc(-n3ccc(NC(=O)N4CCC[C@@H](N)C4)nc3=O)cc2)CC1.

What is the InChIKey of (3R)-3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperidine-1-carboxamide;hydrochloride?

The InChIKey is VHMPLKOFKLYHIP-GMUIIQOCSA-N. The full InChI is InChI=1S/C22H31N7O2.ClH/c23-17-7-11-27(12-8-17)14-16-3-5-19(6-4-16)29-13-9-20(26-22(29)31)25-21(30)28-10-1-2-18(24)15-28;/h3-6,9,13,17-18H,1-2,7-8,10-12,14-15,23-24H2,(H,25,26,30,31);1H/t18-;/m1./s1.

What are the key properties of (3R)-3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperidine-1-carboxamide;hydrochloride?

(3R)-3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperidine-1-carboxamide;hydrochloride has a molecular weight of 462.00 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 154651532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).