N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide

C20H25N3O3 — CID 56897452

IUPACN-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccn2C)C[C@H]1O
InChIInChI=1S/C20H25N3O3/c1-14-6-3-4-7-16(14)19(25)21-12-15-9-11-23(13-18(15)24)20(26)17-8-5-10-22(17)2/h3-8,10,15,18,24H,9,11-13H2,1-2H3,(H,21,25)/t15-,18+/m0/s1
InChIKeyMVCMXXCTPSTBNM-MAUKXSAKSA-N
MW355.44 g/mol
LogP1.59
Rot. Bonds4

About N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide

N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide (PubChem CID 56897452) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide
PubChem CID56897452
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccn2C)C[C@H]1O
InChIInChI=1S/C20H25N3O3/c1-14-6-3-4-7-16(14)19(25)21-12-15-9-11-23(13-18(15)24)20(26)17-8-5-10-22(17)2/h3-8,10,15,18,24H,9,11-13H2,1-2H3,(H,21,25)/t15-,18+/m0/s1
InChIKeyMVCMXXCTPSTBNM-MAUKXSAKSA-N
XLogP1.59
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
CID 70846071
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 63250656
N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
CID 91920850
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone
CID 56885604
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110472049
N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide
CID 114303000
ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 81344401
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzamide
CID 46378988
[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126791630
2-[[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813515
N-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210419

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide (CID 56897452) is N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC[C@@H]1CCN(C(=O)c2cccn2C)C[C@H]1O.
What is the InChIKey of N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide?
The InChIKey is MVCMXXCTPSTBNM-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-6-3-4-7-16(14)19(25)21-12-15-9-11-23(13-18(15)24)20(26)17-8-5-10-22(17)2/h3-8,10,15,18,24H,9,11-13H2,1-2H3,(H,21,25)/t15-,18+/m0/s1.
What are the key properties of N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide?
N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 56897452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).