N-[[1-[5-(propylamino)-3-pyridinyl]piperidin-4-yl]methyl]acetamide

C16H26N4O — CID 102737072

IUPACN-[[1-[5-(propylamino)-3-pyridinyl]piperidin-4-yl]methyl]acetamide
SMILESCCCNc1cncc(N2CCC(CNC(C)=O)CC2)c1
InChIInChI=1S/C16H26N4O/c1-3-6-18-15-9-16(12-17-11-15)20-7-4-14(5-8-20)10-19-13(2)21/h9,11-12,14,18H,3-8,10H2,1-2H3,(H,19,21)
InChIKeyWUXCBEXEPRSSJP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.26
Rot. Bonds6

About N-[[1-[5-(propylamino)-3-pyridinyl]piperidin-4-yl]methyl]acetamide

N-[[1-[5-(propylamino)-3-pyridinyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102737072) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[1-[5-(propylamino)-3-pyridinyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[5-(propylamino)-3-pyridinyl]piperidin-4-yl]methyl]acetamide
PubChem CID102737072
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[[1-[5-(propylamino)-3-pyridinyl]piperidin-4-yl]methyl]acetamide
SMILESCCCNc1cncc(N2CCC(CNC(C)=O)CC2)c1
InChIInChI=1S/C16H26N4O/c1-3-6-18-15-9-16(12-17-11-15)20-7-4-14(5-8-20)10-19-13(2)21/h9,11-12,14,18H,3-8,10H2,1-2H3,(H,19,21)
InChIKeyWUXCBEXEPRSSJP-UHFFFAOYSA-N
XLogP2.26
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(propylamino)-3-pyridinyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[5-(propylamino)-3-pyridinyl]piperidin-4-yl]methyl]acetamide (CID 102737072) is N-[[1-[5-(propylamino)-3-pyridinyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[5-(propylamino)-3-pyridinyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[5-(propylamino)-3-pyridinyl]piperidin-4-yl]methyl]acetamide is CCCNc1cncc(N2CCC(CNC(C)=O)CC2)c1.
What is the InChIKey of N-[[1-[5-(propylamino)-3-pyridinyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is WUXCBEXEPRSSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-6-18-15-9-16(12-17-11-15)20-7-4-14(5-8-20)10-19-13(2)21/h9,11-12,14,18H,3-8,10H2,1-2H3,(H,19,21).
What are the key properties of N-[[1-[5-(propylamino)-3-pyridinyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[5-(propylamino)-3-pyridinyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-(propylamino)-3-pyridinyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102737072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).