(1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone

C16H27N3O — CID 63240558

IUPAC(1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
SMILESCCn1cccc1C(=O)N1CCCC(CNC(C)C)C1
InChIInChI=1S/C16H27N3O/c1-4-18-9-6-8-15(18)16(20)19-10-5-7-14(12-19)11-17-13(2)3/h6,8-9,13-14,17H,4-5,7,10-12H2,1-3H3
InChIKeyQBLUFZNKJFZINU-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.36
Rot. Bonds5

About (1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone

(1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone (PubChem CID 63240558) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
PubChem CID63240558
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
SMILESCCn1cccc1C(=O)N1CCCC(CNC(C)C)C1
InChIInChI=1S/C16H27N3O/c1-4-18-9-6-8-15(18)16(20)19-10-5-7-14(12-19)11-17-13(2)3/h6,8-9,13-14,17H,4-5,7,10-12H2,1-3H3
InChIKeyQBLUFZNKJFZINU-UHFFFAOYSA-N
XLogP2.36
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 43638872
3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid
CID 81042260
(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241686
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 103975815
(5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 79095324
[4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 80552636
3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805714
1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241729
(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43638941
[1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 114610241
2-[[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813515
[3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 62536550

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone (CID 63240558) is (1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone is CCn1cccc1C(=O)N1CCCC(CNC(C)C)C1.
What is the InChIKey of (1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is QBLUFZNKJFZINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-18-9-6-8-15(18)16(20)19-10-5-7-14(12-19)11-17-13(2)3/h6,8-9,13-14,17H,4-5,7,10-12H2,1-3H3.
What are the key properties of (1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
(1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 277.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 63240558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).