2-amino-3-cyclopentyl-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one

C19H29N3O2 — CID 56750179

IUPAC2-amino-3-cyclopentyl-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
SMILESCc1ccc(C2(O)CCN(C(=O)C(N)CC3CCCC3)CC2)nc1
InChIInChI=1S/C19H29N3O2/c1-14-6-7-17(21-13-14)19(24)8-10-22(11-9-19)18(23)16(20)12-15-4-2-3-5-15/h6-7,13,15-16,24H,2-5,8-12,20H2,1H3
InChIKeyCZLVAGIPCRSIAR-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.11
Rot. Bonds4

About 2-amino-3-cyclopentyl-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one

2-amino-3-cyclopentyl-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one (PubChem CID 56750179) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-amino-3-cyclopentyl-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-3-cyclopentyl-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
PubChem CID56750179
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-amino-3-cyclopentyl-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
SMILESCc1ccc(C2(O)CCN(C(=O)C(N)CC3CCCC3)CC2)nc1
InChIInChI=1S/C19H29N3O2/c1-14-6-7-17(21-13-14)19(24)8-10-22(11-9-19)18(23)16(20)12-15-4-2-3-5-15/h6-7,13,15-16,24H,2-5,8-12,20H2,1H3
InChIKeyCZLVAGIPCRSIAR-UHFFFAOYSA-N
XLogP2.11
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclopentyl-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-3-cyclopentyl-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one (CID 56750179) is 2-amino-3-cyclopentyl-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-3-cyclopentyl-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-3-cyclopentyl-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one is Cc1ccc(C2(O)CCN(C(=O)C(N)CC3CCCC3)CC2)nc1.
What is the InChIKey of 2-amino-3-cyclopentyl-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The InChIKey is CZLVAGIPCRSIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-6-7-17(21-13-14)19(24)8-10-22(11-9-19)18(23)16(20)12-15-4-2-3-5-15/h6-7,13,15-16,24H,2-5,8-12,20H2,1H3.
What are the key properties of 2-amino-3-cyclopentyl-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
2-amino-3-cyclopentyl-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one has a molecular weight of 331.46 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclopentyl-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56750179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).