[6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C19H30N4O — CID 11522780

IUPAC[6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)nc2)CC1
InChIInChI=1S/C19H30N4O/c1-16(2)22-10-12-23(13-11-22)19(24)17-6-7-18(20-14-17)15-21-8-4-3-5-9-21/h6-7,14,16H,3-5,8-13,15H2,1-2H3
InChIKeyHGMKONUWLRPGDN-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.23
Rot. Bonds4

About [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 11522780) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID11522780
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name[6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)nc2)CC1
InChIInChI=1S/C19H30N4O/c1-16(2)22-10-12-23(13-11-22)19(24)17-6-7-18(20-14-17)15-21-8-4-3-5-9-21/h6-7,14,16H,3-5,8-13,15H2,1-2H3
InChIKeyHGMKONUWLRPGDN-UHFFFAOYSA-N
XLogP2.23
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 11522780) is [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)nc2)CC1.
What is the InChIKey of [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is HGMKONUWLRPGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-16(2)22-10-12-23(13-11-22)19(24)17-6-7-18(20-14-17)15-21-8-4-3-5-9-21/h6-7,14,16H,3-5,8-13,15H2,1-2H3.
What are the key properties of [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 330.48 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 11522780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).