(4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone

C17H27N3O — CID 62090534

IUPAC(4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2cc(N)cn2C2CC2)CC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)12-6-8-19(9-7-12)16(21)15-10-13(18)11-20(15)14-4-5-14/h10-12,14H,4-9,18H2,1-3H3
InChIKeyHCZOSGDTGMYQPG-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.30
Rot. Bonds2

About (4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone

(4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone (PubChem CID 62090534) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone
PubChem CID62090534
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2cc(N)cn2C2CC2)CC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)12-6-8-19(9-7-12)16(21)15-10-13(18)11-20(15)14-4-5-14/h10-12,14H,4-9,18H2,1-3H3
InChIKeyHCZOSGDTGMYQPG-UHFFFAOYSA-N
XLogP3.30
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone (CID 62090534) is (4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone is CC(C)(C)C1CCN(C(=O)c2cc(N)cn2C2CC2)CC1.
What is the InChIKey of (4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone?
The InChIKey is HCZOSGDTGMYQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,3)12-6-8-19(9-7-12)16(21)15-10-13(18)11-20(15)14-4-5-14/h10-12,14H,4-9,18H2,1-3H3.
What are the key properties of (4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone?
(4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone has a molecular weight of 289.42 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone is sourced from PubChem (CID 62090534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).