(1-tert-butylpyrrol-3-yl)-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone

C19H32N2O2 — CID 96576991

IUPAC(1-tert-butylpyrrol-3-yl)-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone
SMILESCC(C)C[C@H](O)C1CCN(C(=O)c2ccn(C(C)(C)C)c2)CC1
InChIInChI=1S/C19H32N2O2/c1-14(2)12-17(22)15-6-9-20(10-7-15)18(23)16-8-11-21(13-16)19(3,4)5/h8,11,13-15,17,22H,6-7,9-10,12H2,1-5H3/t17-/m0/s1
InChIKeyKYVOSWUSEKELCI-KRWDZBQOSA-N
MW320.48 g/mol
LogP3.50
Rot. Bonds4

About (1-tert-butylpyrrol-3-yl)-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone

(1-tert-butylpyrrol-3-yl)-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone (PubChem CID 96576991) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (1-tert-butylpyrrol-3-yl)-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butylpyrrol-3-yl)-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone
PubChem CID96576991
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name(1-tert-butylpyrrol-3-yl)-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone
SMILESCC(C)C[C@H](O)C1CCN(C(=O)c2ccn(C(C)(C)C)c2)CC1
InChIInChI=1S/C19H32N2O2/c1-14(2)12-17(22)15-6-9-20(10-7-15)18(23)16-8-11-21(13-16)19(3,4)5/h8,11,13-15,17,22H,6-7,9-10,12H2,1-5H3/t17-/m0/s1
InChIKeyKYVOSWUSEKELCI-KRWDZBQOSA-N
XLogP3.50
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-tert-butylpyrrol-3-yl)-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone
CID 70720752
ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate
CID 110699015
[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone
CID 112537605
(1R,5S)-3-(1-tert-butylpyrrole-3-carbonyl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 90651349
(1-tert-butylpyrrol-3-yl)-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 56760584
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
(1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 56751067
4-(1-tert-butylpyrrole-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 70706068
1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112537597
[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 102978293
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1-tert-butylpyrrol-3-yl)methanone
CID 90651979

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpyrrol-3-yl)-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone?
The IUPAC name of (1-tert-butylpyrrol-3-yl)-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone (CID 96576991) is (1-tert-butylpyrrol-3-yl)-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-tert-butylpyrrol-3-yl)-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-tert-butylpyrrol-3-yl)-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone is CC(C)C[C@H](O)C1CCN(C(=O)c2ccn(C(C)(C)C)c2)CC1.
What is the InChIKey of (1-tert-butylpyrrol-3-yl)-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone?
The InChIKey is KYVOSWUSEKELCI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-14(2)12-17(22)15-6-9-20(10-7-15)18(23)16-8-11-21(13-16)19(3,4)5/h8,11,13-15,17,22H,6-7,9-10,12H2,1-5H3/t17-/m0/s1.
What are the key properties of (1-tert-butylpyrrol-3-yl)-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone?
(1-tert-butylpyrrol-3-yl)-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone has a molecular weight of 320.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpyrrol-3-yl)-[4-[(1S)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone is sourced from PubChem (CID 96576991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).