(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C14H21N3O2 — CID 43644082

IUPAC(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCCC(CO)C2)n(C2CC2)c1
InChIInChI=1S/C14H21N3O2/c15-11-6-13(17(8-11)12-3-4-12)14(19)16-5-1-2-10(7-16)9-18/h6,8,10,12,18H,1-5,7,9,15H2
InChIKeyYCLMTXJMRIEMCL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.25
Rot. Bonds3

About (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43644082) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43644082
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCCC(CO)C2)n(C2CC2)c1
InChIInChI=1S/C14H21N3O2/c15-11-6-13(17(8-11)12-3-4-12)14(19)16-5-1-2-10(7-16)9-18/h6,8,10,12,18H,1-5,7,9,15H2
InChIKeyYCLMTXJMRIEMCL-UHFFFAOYSA-N
XLogP1.25
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416742
(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64568402
1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
CID 43642310
(4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422200
7-(4-amino-1-cyclopropylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095542
(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42883607
(4-amino-1-cyclopropylpyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 61114321
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589993
(4-amino-1-propylpyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209719
(3-aminoazetidin-1-yl)-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone
CID 65244336
(4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone
CID 113375296
(5-amino-2,4-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 102705090

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 43644082) is (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is Nc1cc(C(=O)N2CCCC(CO)C2)n(C2CC2)c1.
What is the InChIKey of (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is YCLMTXJMRIEMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-11-6-13(17(8-11)12-3-4-12)14(19)16-5-1-2-10(7-16)9-18/h6,8,10,12,18H,1-5,7,9,15H2.
What are the key properties of (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-cyclopropylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43644082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).