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

C18H29N5O — CID 53188588

IUPACN-cyclopropyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCCNc1cc(N2CCC(CCC(=O)NC3CC3)CC2)ncn1
InChIInChI=1S/C18H29N5O/c1-2-9-19-16-12-17(21-13-20-16)23-10-7-14(8-11-23)3-6-18(24)22-15-4-5-15/h12-15H,2-11H2,1H3,(H,22,24)(H,19,20,21)
InChIKeyOBOHRPIRUGNVHP-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.57
Rot. Bonds8

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

N-cyclopropyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (PubChem CID 53188588) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
PubChem CID53188588
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC NameN-cyclopropyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCCNc1cc(N2CCC(CCC(=O)NC3CC3)CC2)ncn1
InChIInChI=1S/C18H29N5O/c1-2-9-19-16-12-17(21-13-20-16)23-10-7-14(8-11-23)3-6-18(24)22-15-4-5-15/h12-15H,2-11H2,1H3,(H,22,24)(H,19,20,21)
InChIKeyOBOHRPIRUGNVHP-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 N-cyclopropyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (CID 53188588) is N-cyclopropyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is CCCNc1cc(N2CCC(CCC(=O)NC3CC3)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The InChIKey is OBOHRPIRUGNVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-2-9-19-16-12-17(21-13-20-16)23-10-7-14(8-11-23)3-6-18(24)22-15-4-5-15/h12-15H,2-11H2,1H3,(H,22,24)(H,19,20,21).
What are the key properties of N-cyclopropyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide 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 N-cyclopropyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 53188588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).