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

C19H25N5O3 — CID 95207495

IUPACN-[2-[1-[(2S)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN([C@@H](C)C(N)=O)CC1
InChIInChI=1S/C19H25N5O3/c1-13(18(20)25)23-11-8-14(9-12-23)24-17(7-10-21-24)22-19(26)15-5-3-4-6-16(15)27-2/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H2,20,25)(H,22,26)/t13-/m0/s1
InChIKeyDGWZLAKMBAWCRV-ZDUSSCGKSA-N
MW371.44 g/mol
LogP1.65
Rot. Bonds6

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

N-[2-[1-[(2S)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 95207495) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-[1-[(2S)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[(2S)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID95207495
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[2-[1-[(2S)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN([C@@H](C)C(N)=O)CC1
InChIInChI=1S/C19H25N5O3/c1-13(18(20)25)23-11-8-14(9-12-23)24-17(7-10-21-24)22-19(26)15-5-3-4-6-16(15)27-2/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H2,20,25)(H,22,26)/t13-/m0/s1
InChIKeyDGWZLAKMBAWCRV-ZDUSSCGKSA-N
XLogP1.65
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2S)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-[(2S)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (CID 95207495) is N-[2-[1-[(2S)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[(2S)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-[(2S)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN([C@@H](C)C(N)=O)CC1.
What is the InChIKey of N-[2-[1-[(2S)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is DGWZLAKMBAWCRV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-13(18(20)25)23-11-8-14(9-12-23)24-17(7-10-21-24)22-19(26)15-5-3-4-6-16(15)27-2/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H2,20,25)(H,22,26)/t13-/m0/s1.
What are the key properties of N-[2-[1-[(2S)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-[1-[(2S)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 371.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2S)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 95207495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).