2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one

C27H37N5O2 — CID 170648747

IUPAC2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CC2CCN(C(=O)N3CC[C@@H](N)C[C@H]3c3ccccc3)CC23CCCC3)n1
InChIInChI=1S/C27H37N5O2/c1-19-15-25(33)30-24(29-19)16-21-9-13-31(18-27(21)11-5-6-12-27)26(34)32-14-10-22(28)17-23(32)20-7-3-2-4-8-20/h2-4,7-8,15,21-23H,5-6,9-14,16-18,28H2,1H3,(H,29,30,33)/t21?,22-,23+/m1/s1
InChIKeyCZFSZRGTNSFRCB-NRSZHQCHSA-N
MW463.63 g/mol
LogP3.79
Rot. Bonds3

About 2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one

2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 170648747) has the molecular formula C27H37N5O2 and a molecular weight of 463.63 g/mol. Its IUPAC name is 2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID170648747
Molecular FormulaC27H37N5O2
Molecular Weight463.63 g/mol
Exact Mass463.29
IUPAC Name2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CC2CCN(C(=O)N3CC[C@@H](N)C[C@H]3c3ccccc3)CC23CCCC3)n1
InChIInChI=1S/C27H37N5O2/c1-19-15-25(33)30-24(29-19)16-21-9-13-31(18-27(21)11-5-6-12-27)26(34)32-14-10-22(28)17-23(32)20-7-3-2-4-8-20/h2-4,7-8,15,21-23H,5-6,9-14,16-18,28H2,1H3,(H,29,30,33)/t21?,22-,23+/m1/s1
InChIKeyCZFSZRGTNSFRCB-NRSZHQCHSA-N
XLogP3.79
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one 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 2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one (CID 170648747) is 2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(CC2CCN(C(=O)N3CC[C@@H](N)C[C@H]3c3ccccc3)CC23CCCC3)n1.
What is the InChIKey of 2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CZFSZRGTNSFRCB-NRSZHQCHSA-N. The full InChI is InChI=1S/C27H37N5O2/c1-19-15-25(33)30-24(29-19)16-21-9-13-31(18-27(21)11-5-6-12-27)26(34)32-14-10-22(28)17-23(32)20-7-3-2-4-8-20/h2-4,7-8,15,21-23H,5-6,9-14,16-18,28H2,1H3,(H,29,30,33)/t21?,22-,23+/m1/s1.
What are the key properties of 2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one?
2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 463.63 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 170648747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).