(4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

C15H22ClN3O — CID 63250944

IUPAC(4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(Cl)cn2C2CC2)CC1
InChIInChI=1S/C15H22ClN3O/c1-17-9-11-4-6-18(7-5-11)15(20)14-8-12(16)10-19(14)13-2-3-13/h8,10-11,13,17H,2-7,9H2,1H3
InChIKeyHCFHPXGGRKTORC-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.55
Rot. Bonds4

About (4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

(4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 63250944) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is (4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID63250944
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name(4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(Cl)cn2C2CC2)CC1
InChIInChI=1S/C15H22ClN3O/c1-17-9-11-4-6-18(7-5-11)15(20)14-8-12(16)10-19(14)13-2-3-13/h8,10-11,13,17H,2-7,9H2,1H3
InChIKeyHCFHPXGGRKTORC-UHFFFAOYSA-N
XLogP2.55
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propan-2-ylpyrrol-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263597
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
(4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974801
(4-chloro-1-propylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80550757
(4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563732
1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146630
(2-bromo-5-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546124
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 63250656
[2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone
CID 115315134
(5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546509
(4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934476
2-[1-(4-chloro-1-methylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980614

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 63250944) is (4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2cc(Cl)cn2C2CC2)CC1.
What is the InChIKey of (4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is HCFHPXGGRKTORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-17-9-11-4-6-18(7-5-11)15(20)14-8-12(16)10-19(14)13-2-3-13/h8,10-11,13,17H,2-7,9H2,1H3.
What are the key properties of (4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
(4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 295.81 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63250944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).