[4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone

C15H25N3O — CID 80552636

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
SMILESCCNCC1CCN(C(=O)c2cccn2CC)CC1
InChIInChI=1S/C15H25N3O/c1-3-16-12-13-7-10-18(11-8-13)15(19)14-6-5-9-17(14)4-2/h5-6,9,13,16H,3-4,7-8,10-12H2,1-2H3
InChIKeyBAERWGGXQNOXHB-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.97
Rot. Bonds5

About [4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone

[4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone (PubChem CID 80552636) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
PubChem CID80552636
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
SMILESCCNCC1CCN(C(=O)c2cccn2CC)CC1
InChIInChI=1S/C15H25N3O/c1-3-16-12-13-7-10-18(11-8-13)15(19)14-6-5-9-17(14)4-2/h5-6,9,13,16H,3-4,7-8,10-12H2,1-2H3
InChIKeyBAERWGGXQNOXHB-UHFFFAOYSA-N
XLogP1.97
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43638941
(1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 138004302
2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615657
(1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63240558
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 63250656
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 103975815
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 80551458
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
[4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
CID 119648502

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone (CID 80552636) is [4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone is CCNCC1CCN(C(=O)c2cccn2CC)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone?
The InChIKey is BAERWGGXQNOXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-16-12-13-7-10-18(11-8-13)15(19)14-6-5-9-17(14)4-2/h5-6,9,13,16H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone has a molecular weight of 263.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone is sourced from PubChem (CID 80552636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).