3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide

C18H23N5O — CID 125118161

IUPAC3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
SMILESNc1ccccc1CCC(=O)N[C@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H23N5O/c19-16-7-2-1-5-14(16)8-9-17(24)22-15-6-3-12-23(13-15)18-20-10-4-11-21-18/h1-2,4-5,7,10-11,15H,3,6,8-9,12-13,19H2,(H,22,24)/t15-/m0/s1
InChIKeyQFSOXUKFTVPXBF-HNNXBMFYSA-N
MW325.42 g/mol
LogP1.78
Rot. Bonds5

About 3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide

3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide (PubChem CID 125118161) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
PubChem CID125118161
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
SMILESNc1ccccc1CCC(=O)N[C@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H23N5O/c19-16-7-2-1-5-14(16)8-9-17(24)22-15-6-3-12-23(13-15)18-20-10-4-11-21-18/h1-2,4-5,7,10-11,15H,3,6,8-9,12-13,19H2,(H,22,24)/t15-/m0/s1
InChIKeyQFSOXUKFTVPXBF-HNNXBMFYSA-N
XLogP1.78
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100658
4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 70737771
3-(2-aminophenyl)-N-[1-(4-bromophenyl)pyrrolidin-3-yl]propanamide
CID 120612958
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 71893149
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 55802709

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide (CID 125118161) is 3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide is Nc1ccccc1CCC(=O)N[C@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of 3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide?
The InChIKey is QFSOXUKFTVPXBF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O/c19-16-7-2-1-5-14(16)8-9-17(24)22-15-6-3-12-23(13-15)18-20-10-4-11-21-18/h1-2,4-5,7,10-11,15H,3,6,8-9,12-13,19H2,(H,22,24)/t15-/m0/s1.
What are the key properties of 3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide?
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide has a molecular weight of 325.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide is sourced from PubChem (CID 125118161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).