N-(3-methylphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide

C22H31N5O — CID 95102785

IUPACN-(3-methylphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
SMILESCCCNc1cc(N2CCC[C@H](CCC(=O)Nc3cccc(C)c3)C2)ncn1
InChIInChI=1S/C22H31N5O/c1-3-11-23-20-14-21(25-16-24-20)27-12-5-7-18(15-27)9-10-22(28)26-19-8-4-6-17(2)13-19/h4,6,8,13-14,16,18H,3,5,7,9-12,15H2,1-2H3,(H,26,28)(H,23,24,25)/t18-/m1/s1
InChIKeyGXXZVAYJDODHBV-GOSISDBHSA-N
MW381.52 g/mol
LogP4.24
Rot. Bonds8

About N-(3-methylphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide

N-(3-methylphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide (PubChem CID 95102785) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
PubChem CID95102785
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-(3-methylphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
SMILESCCCNc1cc(N2CCC[C@H](CCC(=O)Nc3cccc(C)c3)C2)ncn1
InChIInChI=1S/C22H31N5O/c1-3-11-23-20-14-21(25-16-24-20)27-12-5-7-18(15-27)9-10-22(28)26-19-8-4-6-17(2)13-19/h4,6,8,13-14,16,18H,3,5,7,9-12,15H2,1-2H3,(H,26,28)(H,23,24,25)/t18-/m1/s1
InChIKeyGXXZVAYJDODHBV-GOSISDBHSA-N
XLogP4.24
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188724
N-(3-methoxyphenyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 53174306
N-(4-ethoxyphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95102864
N-butyl-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95102904
N-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 98749562
N-butan-2-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 53174251
N-[(3-fluorophenyl)methyl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95102834
3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide
CID 95103263
N-(2,3-dimethylphenyl)-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 53174391
3-[(3S)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 95102979
3-[(3S)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 95102997
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 98749568

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
The IUPAC name of N-(3-methylphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide (CID 95102785) is N-(3-methylphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide is CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3cccc(C)c3)C2)ncn1.
What is the InChIKey of N-(3-methylphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
The InChIKey is GXXZVAYJDODHBV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H31N5O/c1-3-11-23-20-14-21(25-16-24-20)27-12-5-7-18(15-27)9-10-22(28)26-19-8-4-6-17(2)13-19/h4,6,8,13-14,16,18H,3,5,7,9-12,15H2,1-2H3,(H,26,28)(H,23,24,25)/t18-/m1/s1.
What are the key properties of N-(3-methylphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
N-(3-methylphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide has a molecular weight of 381.52 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[(3R)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide is sourced from PubChem (CID 95102785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).