1-(cyclopropylmethyl)-5-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one

C19H28N4O2 — CID 53191740

IUPAC1-(cyclopropylmethyl)-5-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESO=C(C1CCCN1)N1CCN(Cc2ccc(=O)n(CC3CC3)c2)CC1
InChIInChI=1S/C19H28N4O2/c24-18-6-5-16(14-23(18)13-15-3-4-15)12-21-8-10-22(11-9-21)19(25)17-2-1-7-20-17/h5-6,14-15,17,20H,1-4,7-13H2
InChIKeyJAPIFCKYVVQAQC-UHFFFAOYSA-N
MW344.46 g/mol
LogP0.65
Rot. Bonds5

About 1-(cyclopropylmethyl)-5-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one

1-(cyclopropylmethyl)-5-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one (PubChem CID 53191740) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
PubChem CID53191740
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-(cyclopropylmethyl)-5-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESO=C(C1CCCN1)N1CCN(Cc2ccc(=O)n(CC3CC3)c2)CC1
InChIInChI=1S/C19H28N4O2/c24-18-6-5-16(14-23(18)13-15-3-4-15)12-21-8-10-22(11-9-21)19(25)17-2-1-7-20-17/h5-6,14-15,17,20H,1-4,7-13H2
InChIKeyJAPIFCKYVVQAQC-UHFFFAOYSA-N
XLogP0.65
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-5-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one (CID 53191740) is 1-(cyclopropylmethyl)-5-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-5-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one is O=C(C1CCCN1)N1CCN(Cc2ccc(=O)n(CC3CC3)c2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The InChIKey is JAPIFCKYVVQAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-18-6-5-16(14-23(18)13-15-3-4-15)12-21-8-10-22(11-9-21)19(25)17-2-1-7-20-17/h5-6,14-15,17,20H,1-4,7-13H2.
What are the key properties of 1-(cyclopropylmethyl)-5-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
1-(cyclopropylmethyl)-5-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one has a molecular weight of 344.46 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 53191740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).