(1-cyclopropylpyrrol-2-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C19H29N3O2 — CID 91762318

IUPAC(1-cyclopropylpyrrol-2-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccn1C1CC1)N1CCC(CO)(CN2CCCC2)CC1
InChIInChI=1S/C19H29N3O2/c23-15-19(14-20-9-1-2-10-20)7-12-21(13-8-19)18(24)17-4-3-11-22(17)16-5-6-16/h3-4,11,16,23H,1-2,5-10,12-15H2
InChIKeyOURSVLQYGDLKTP-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.13
Rot. Bonds5

About (1-cyclopropylpyrrol-2-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

(1-cyclopropylpyrrol-2-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 91762318) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (1-cyclopropylpyrrol-2-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclopropylpyrrol-2-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID91762318
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(1-cyclopropylpyrrol-2-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccn1C1CC1)N1CCC(CO)(CN2CCCC2)CC1
InChIInChI=1S/C19H29N3O2/c23-15-19(14-20-9-1-2-10-20)7-12-21(13-8-19)18(24)17-4-3-11-22(17)16-5-6-16/h3-4,11,16,23H,1-2,5-10,12-15H2
InChIKeyOURSVLQYGDLKTP-UHFFFAOYSA-N
XLogP2.13
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylpyrrol-2-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-cyclopropylpyrrol-2-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 91762318) is (1-cyclopropylpyrrol-2-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-cyclopropylpyrrol-2-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-cyclopropylpyrrol-2-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1cccn1C1CC1)N1CCC(CO)(CN2CCCC2)CC1.
What is the InChIKey of (1-cyclopropylpyrrol-2-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is OURSVLQYGDLKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-15-19(14-20-9-1-2-10-20)7-12-21(13-8-19)18(24)17-4-3-11-22(17)16-5-6-16/h3-4,11,16,23H,1-2,5-10,12-15H2.
What are the key properties of (1-cyclopropylpyrrol-2-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
(1-cyclopropylpyrrol-2-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 331.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylpyrrol-2-yl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 91762318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).