3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propylpropanamide

C18H29N5O — CID 53174449

IUPAC3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCC1CCCN(c2cc(NC3CC3)ncn2)C1
InChIInChI=1S/C18H29N5O/c1-2-9-19-18(24)8-5-14-4-3-10-23(12-14)17-11-16(20-13-21-17)22-15-6-7-15/h11,13-15H,2-10,12H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyRZKLFVSWZVSDLQ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.57
Rot. Bonds8

About 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propylpropanamide

3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propylpropanamide (PubChem CID 53174449) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propylpropanamide
PubChem CID53174449
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCC1CCCN(c2cc(NC3CC3)ncn2)C1
InChIInChI=1S/C18H29N5O/c1-2-9-19-18(24)8-5-14-4-3-10-23(12-14)17-11-16(20-13-21-17)22-15-6-7-15/h11,13-15H,2-10,12H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyRZKLFVSWZVSDLQ-UHFFFAOYSA-N
XLogP2.57
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propylpropanamide?
The IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propylpropanamide (CID 53174449) is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propylpropanamide?
The canonical SMILES for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propylpropanamide is CCCNC(=O)CCC1CCCN(c2cc(NC3CC3)ncn2)C1.
What is the InChIKey of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propylpropanamide?
The InChIKey is RZKLFVSWZVSDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-2-9-19-18(24)8-5-14-4-3-10-23(12-14)17-11-16(20-13-21-17)22-15-6-7-15/h11,13-15H,2-10,12H2,1H3,(H,19,24)(H,20,21,22).
What are the key properties of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propylpropanamide?
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propylpropanamide has a molecular weight of 331.46 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propylpropanamide is sourced from PubChem (CID 53174449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).