[3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone

C14H23N3O — CID 62536550

IUPAC[3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone
SMILESCCCn1cccc1C(=O)N1CCCC(NC)C1
InChIInChI=1S/C14H23N3O/c1-3-8-16-9-5-7-13(16)14(18)17-10-4-6-12(11-17)15-2/h5,7,9,12,15H,3-4,6,8,10-11H2,1-2H3
InChIKeyDQTCJFUGWWBCEY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.72
Rot. Bonds4

About [3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone

[3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone (PubChem CID 62536550) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone
PubChem CID62536550
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone
SMILESCCCn1cccc1C(=O)N1CCCC(NC)C1
InChIInChI=1S/C14H23N3O/c1-3-8-16-9-5-7-13(16)14(18)17-10-4-6-12(11-17)15-2/h5,7,9,12,15H,3-4,6,8,10-11H2,1-2H3
InChIKeyDQTCJFUGWWBCEY-UHFFFAOYSA-N
XLogP1.72
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 43639083
(3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 81120632
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 94339941
piperazin-1-yl-(1-propylpyrrol-2-yl)methanone
CID 43639000
(4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 113281905
2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615657
1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 43638872
(4-chloro-1-ethylpyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62534647
(3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 79994432
(1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63240558
3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid
CID 81042260
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone (CID 62536550) is [3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone is CCCn1cccc1C(=O)N1CCCC(NC)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone?
The InChIKey is DQTCJFUGWWBCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-8-16-9-5-7-13(16)14(18)17-10-4-6-12(11-17)15-2/h5,7,9,12,15H,3-4,6,8,10-11H2,1-2H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone?
[3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone has a molecular weight of 249.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone is sourced from PubChem (CID 62536550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).