N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide

C18H28N4O3 — CID 127248093

IUPACN-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC2(O)CCN(C(=O)c3cccn3C)C2)CC1
InChIInChI=1S/C18H28N4O3/c1-14(23)19-15-5-9-21(10-6-15)12-18(25)7-11-22(13-18)17(24)16-4-3-8-20(16)2/h3-4,8,15,25H,5-7,9-13H2,1-2H3,(H,19,23)
InChIKeyUARSTTGFNAHRCF-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.20
Rot. Bonds4

About N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 127248093) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID127248093
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC2(O)CCN(C(=O)c3cccn3C)C2)CC1
InChIInChI=1S/C18H28N4O3/c1-14(23)19-15-5-9-21(10-6-15)12-18(25)7-11-22(13-18)17(24)16-4-3-8-20(16)2/h3-4,8,15,25H,5-7,9-13H2,1-2H3,(H,19,23)
InChIKeyUARSTTGFNAHRCF-UHFFFAOYSA-N
XLogP0.20
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 124990157
N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 124997633
N-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 124990593
N-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110098133
N-[1-[[4-hydroxy-1-(2-propylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123185
[3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126818993
N-[1-[[4-hydroxy-1-(1-propylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123189
N-[1-[[(4S)-1-[2-(difluoromethyl)pyrazole-3-carbonyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125013574
N-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 124969198
N-[1-[[(4S)-4-hydroxy-1-(4-methoxybenzoyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125021477
N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123120
N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110098129

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide (CID 127248093) is N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(CC2(O)CCN(C(=O)c3cccn3C)C2)CC1.
What is the InChIKey of N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is UARSTTGFNAHRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-14(23)19-15-5-9-21(10-6-15)12-18(25)7-11-22(13-18)17(24)16-4-3-8-20(16)2/h3-4,8,15,25H,5-7,9-13H2,1-2H3,(H,19,23).
What are the key properties of N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 127248093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).