2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one

C15H25N3O — CID 62339410

IUPAC2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NCc2ccc[nH]2)CC1
InChIInChI=1S/C15H25N3O/c1-15(2,3)14(19)18-9-6-12(7-10-18)17-11-13-5-4-8-16-13/h4-5,8,12,16-17H,6-7,9-11H2,1-3H3
InChIKeyISHKQOFSMMZJQO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.14
Rot. Bonds3

About 2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one (PubChem CID 62339410) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one
PubChem CID62339410
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NCc2ccc[nH]2)CC1
InChIInChI=1S/C15H25N3O/c1-15(2,3)14(19)18-9-6-12(7-10-18)17-11-13-5-4-8-16-13/h4-5,8,12,16-17H,6-7,9-11H2,1-3H3
InChIKeyISHKQOFSMMZJQO-UHFFFAOYSA-N
XLogP2.14
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine
CID 62340584
1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 62346982
4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
CID 60664775
1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 66387768
1-butylsulfanyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine
CID 170623120
1-[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 43747754
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide
CID 110819918
2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 106637739
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119625065
1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111467106
1-[4-[(2-hydroxy-2,3-dimethylbutyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111466763
1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111469282

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one (CID 62339410) is 2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCC(NCc2ccc[nH]2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is ISHKQOFSMMZJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)14(19)18-9-6-12(7-10-18)17-11-13-5-4-8-16-13/h4-5,8,12,16-17H,6-7,9-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(1H-pyrrol-2-ylmethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 62339410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).