[1-methyl-4-(piperidin-1-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C19H32N4O — CID 11580790

IUPAC[1-methyl-4-(piperidin-1-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cc(CN3CCCCC3)cn2C)CC1
InChIInChI=1S/C19H32N4O/c1-16(2)22-9-11-23(12-10-22)19(24)18-13-17(14-20(18)3)15-21-7-5-4-6-8-21/h13-14,16H,4-12,15H2,1-3H3
InChIKeyRNCRXOFZYADCCD-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.18
Rot. Bonds4

About [1-methyl-4-(piperidin-1-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[1-methyl-4-(piperidin-1-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 11580790) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is [1-methyl-4-(piperidin-1-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-methyl-4-(piperidin-1-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID11580790
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name[1-methyl-4-(piperidin-1-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cc(CN3CCCCC3)cn2C)CC1
InChIInChI=1S/C19H32N4O/c1-16(2)22-9-11-23(12-10-22)19(24)18-13-17(14-20(18)3)15-21-7-5-4-6-8-21/h13-14,16H,4-12,15H2,1-3H3
InChIKeyRNCRXOFZYADCCD-UHFFFAOYSA-N
XLogP2.18
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(piperidin-1-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-methyl-4-(piperidin-1-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 11580790) is [1-methyl-4-(piperidin-1-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-methyl-4-(piperidin-1-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-methyl-4-(piperidin-1-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2cc(CN3CCCCC3)cn2C)CC1.
What is the InChIKey of [1-methyl-4-(piperidin-1-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is RNCRXOFZYADCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-16(2)22-9-11-23(12-10-22)19(24)18-13-17(14-20(18)3)15-21-7-5-4-6-8-21/h13-14,16H,4-12,15H2,1-3H3.
What are the key properties of [1-methyl-4-(piperidin-1-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[1-methyl-4-(piperidin-1-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 332.49 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(piperidin-1-ylmethyl)pyrrol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 11580790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).