N-propyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide

C18H31N5O — CID 53188722

IUPACN-propyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCCNC(=O)CCC1CCN(c2cc(NCCC)ncn2)CC1
InChIInChI=1S/C18H31N5O/c1-3-9-19-16-13-17(22-14-21-16)23-11-7-15(8-12-23)5-6-18(24)20-10-4-2/h13-15H,3-12H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeyNWPNJXPSLAHSLC-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.82
Rot. Bonds9

About N-propyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide

N-propyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (PubChem CID 53188722) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N-propyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-propyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
PubChem CID53188722
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN-propyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCCNC(=O)CCC1CCN(c2cc(NCCC)ncn2)CC1
InChIInChI=1S/C18H31N5O/c1-3-9-19-16-13-17(22-14-21-16)23-11-7-15(8-12-23)5-6-18(24)20-10-4-2/h13-15H,3-12H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeyNWPNJXPSLAHSLC-UHFFFAOYSA-N
XLogP2.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-propyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (CID 53188722) is N-propyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-propyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-propyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is CCCNC(=O)CCC1CCN(c2cc(NCCC)ncn2)CC1.
What is the InChIKey of N-propyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The InChIKey is NWPNJXPSLAHSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-3-9-19-16-13-17(22-14-21-16)23-11-7-15(8-12-23)5-6-18(24)20-10-4-2/h13-15H,3-12H2,1-2H3,(H,20,24)(H,19,21,22).
What are the key properties of N-propyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
N-propyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide has a molecular weight of 333.48 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 53188722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).