2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide

C18H25N5O2 — CID 92551608

IUPAC2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide
SMILESCC(C)(N)C(=O)NC1CCN(C(=O)Cn2ccc3ccncc32)CC1
InChIInChI=1S/C18H25N5O2/c1-18(2,19)17(25)21-14-5-9-22(10-6-14)16(24)12-23-8-4-13-3-7-20-11-15(13)23/h3-4,7-8,11,14H,5-6,9-10,12,19H2,1-2H3,(H,21,25)
InChIKeyBKBLRPIOTURMJO-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.88
Rot. Bonds4

About 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide

2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide (PubChem CID 92551608) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide
PubChem CID92551608
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide
SMILESCC(C)(N)C(=O)NC1CCN(C(=O)Cn2ccc3ccncc32)CC1
InChIInChI=1S/C18H25N5O2/c1-18(2,19)17(25)21-14-5-9-22(10-6-14)16(24)12-23-8-4-13-3-7-20-11-15(13)23/h3-4,7-8,11,14H,5-6,9-10,12,19H2,1-2H3,(H,21,25)
InChIKeyBKBLRPIOTURMJO-UHFFFAOYSA-N
XLogP0.88
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide (CID 92551608) is 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide is CC(C)(N)C(=O)NC1CCN(C(=O)Cn2ccc3ccncc32)CC1.
What is the InChIKey of 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide?
The InChIKey is BKBLRPIOTURMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-18(2,19)17(25)21-14-5-9-22(10-6-14)16(24)12-23-8-4-13-3-7-20-11-15(13)23/h3-4,7-8,11,14H,5-6,9-10,12,19H2,1-2H3,(H,21,25).
What are the key properties of 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide?
2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[1-(2-pyrrolo[2,3-c]pyridin-1-ylacetyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 92551608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).