1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide

C12H23N3O3 — CID 93376438

IUPAC1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESC[C@H](N)C(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C12H23N3O3/c1-9(13)12(18)15-6-3-10(4-7-15)11(17)14-5-2-8-16/h9-10,16H,2-8,13H2,1H3,(H,14,17)/t9-/m0/s1
InChIKeySOPNRSSDPHHZLP-VIFPVBQESA-N
MW257.33 g/mol
LogP-0.93
Rot. Bonds5

About 1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide

1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide (PubChem CID 93376438) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
PubChem CID93376438
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESC[C@H](N)C(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C12H23N3O3/c1-9(13)12(18)15-6-3-10(4-7-15)11(17)14-5-2-8-16/h9-10,16H,2-8,13H2,1H3,(H,14,17)/t9-/m0/s1
InChIKeySOPNRSSDPHHZLP-VIFPVBQESA-N
XLogP-0.93
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 62668727
1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 43392702
N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60953607
1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide
CID 61163601
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
CID 60963512
1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119723977
N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113003552
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid
CID 55049640
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 115452950

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide (CID 93376438) is 1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide is C[C@H](N)C(=O)N1CCC(C(=O)NCCCO)CC1.
What is the InChIKey of 1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The InChIKey is SOPNRSSDPHHZLP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(13)12(18)15-6-3-10(4-7-15)11(17)14-5-2-8-16/h9-10,16H,2-8,13H2,1H3,(H,14,17)/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide?
1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 93376438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).