N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide

C20H27N5O2 — CID 136861452

IUPACN-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
SMILESCc1cc(=O)[nH]c(NCCNC(=O)CN2CCC[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C20H27N5O2/c1-15-12-18(26)24-20(23-15)22-10-9-21-19(27)14-25-11-5-8-17(13-25)16-6-3-2-4-7-16/h2-4,6-7,12,17H,5,8-11,13-14H2,1H3,(H,21,27)(H2,22,23,24,26)/t17-/m0/s1
InChIKeyCABJWJGJFDXFND-KRWDZBQOSA-N
MW369.47 g/mol
LogP1.49
Rot. Bonds7

About N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide

N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide (PubChem CID 136861452) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
PubChem CID136861452
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
SMILESCc1cc(=O)[nH]c(NCCNC(=O)CN2CCC[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C20H27N5O2/c1-15-12-18(26)24-20(23-15)22-10-9-21-19(27)14-25-11-5-8-17(13-25)16-6-3-2-4-7-16/h2-4,6-7,12,17H,5,8-11,13-14H2,1H3,(H,21,27)(H2,22,23,24,26)/t17-/m0/s1
InChIKeyCABJWJGJFDXFND-KRWDZBQOSA-N
XLogP1.49
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 136607690
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 136703686
3-(azocan-1-yl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]propanamide
CID 136665226
N-[2-(1H-imidazol-5-yl)ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
CID 97208705
2,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 77085424
(3S)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 136858396
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
CID 97274936
2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 97204454
N-(2-hydroxyethyl)-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 62133590
2-[(3S)-3-phenylpiperidin-1-yl]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 97208277
N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 77086601
N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95317674

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide?
The IUPAC name of N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide (CID 136861452) is N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide is Cc1cc(=O)[nH]c(NCCNC(=O)CN2CCC[C@H](c3ccccc3)C2)n1.
What is the InChIKey of N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide?
The InChIKey is CABJWJGJFDXFND-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-12-18(26)24-20(23-15)22-10-9-21-19(27)14-25-11-5-8-17(13-25)16-6-3-2-4-7-16/h2-4,6-7,12,17H,5,8-11,13-14H2,1H3,(H,21,27)(H2,22,23,24,26)/t17-/m0/s1.
What are the key properties of N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide?
N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(3R)-3-phenylpiperidin-1-yl]acetamide is sourced from PubChem (CID 136861452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).