N-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

C19H25N5O4 — CID 56741326

IUPACN-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)[C@@H](N)CO)CC1
InChIInChI=1S/C19H25N5O4/c1-28-16-5-3-2-4-14(16)18(26)22-17-6-9-21-24(17)13-7-10-23(11-8-13)19(27)15(20)12-25/h2-6,9,13,15,25H,7-8,10-12,20H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyZKEXTZBSSOQYJD-HNNXBMFYSA-N
MW387.44 g/mol
LogP0.63
Rot. Bonds6

About N-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

N-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 56741326) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID56741326
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC NameN-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)[C@@H](N)CO)CC1
InChIInChI=1S/C19H25N5O4/c1-28-16-5-3-2-4-14(16)18(26)22-17-6-9-21-24(17)13-7-10-23(11-8-13)19(27)15(20)12-25/h2-6,9,13,15,25H,7-8,10-12,20H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyZKEXTZBSSOQYJD-HNNXBMFYSA-N
XLogP0.63
TPSA122.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (CID 56741326) is N-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)[C@@H](N)CO)CC1.
What is the InChIKey of N-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is ZKEXTZBSSOQYJD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-28-16-5-3-2-4-14(16)18(26)22-17-6-9-21-24(17)13-7-10-23(11-8-13)19(27)15(20)12-25/h2-6,9,13,15,25H,7-8,10-12,20H2,1H3,(H,22,26)/t15-/m0/s1.
What are the key properties of N-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 387.44 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2S)-2-amino-3-hydroxypropanoyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 56741326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).