[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone

C16H25N3O2 — CID 115965184

IUPAC[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone
SMILESCC(O)C1CCN(C(=O)c2cccn2C2CCNCC2)C1
InChIInChI=1S/C16H25N3O2/c1-12(20)13-6-10-18(11-13)16(21)15-3-2-9-19(15)14-4-7-17-8-5-14/h2-3,9,12-14,17,20H,4-8,10-11H2,1H3
InChIKeySGFCCIKZFHLWNJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.26
Rot. Bonds3

About [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone (PubChem CID 115965184) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone
PubChem CID115965184
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone
SMILESCC(O)C1CCN(C(=O)c2cccn2C2CCNCC2)C1
InChIInChI=1S/C16H25N3O2/c1-12(20)13-6-10-18(11-13)16(21)15-3-2-9-19(15)14-4-7-17-8-5-14/h2-3,9,12-14,17,20H,4-8,10-11H2,1H3
InChIKeySGFCCIKZFHLWNJ-UHFFFAOYSA-N
XLogP1.26
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716093
(3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 63634555
2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
CID 112627156
azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716935
morpholin-4-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62715735
(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680510
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 115965181
1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone
CID 116564730
N-ethyl-1-piperidin-4-yl-N-propan-2-ylpyrrole-2-carboxamide
CID 62716450
1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 112627151
N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62717118

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone (CID 115965184) is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone.
What is the SMILES notation for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The canonical SMILES for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone is CC(O)C1CCN(C(=O)c2cccn2C2CCNCC2)C1.
What is the InChIKey of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The InChIKey is SGFCCIKZFHLWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(20)13-6-10-18(11-13)16(21)15-3-2-9-19(15)14-4-7-17-8-5-14/h2-3,9,12-14,17,20H,4-8,10-11H2,1H3.
What are the key properties of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone?
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone has a molecular weight of 291.39 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone is sourced from PubChem (CID 115965184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).