N-[3-(dimethylamino)propyl]-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide

C17H30N6O — CID 53189342

IUPACN-[3-(dimethylamino)propyl]-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCCCN(C)C)CC2)n1
InChIInChI=1S/C17H30N6O/c1-18-17-20-9-5-15(21-17)23-11-6-14(7-12-23)13-16(24)19-8-4-10-22(2)3/h5,9,14H,4,6-8,10-13H2,1-3H3,(H,19,24)(H,18,20,21)
InChIKeyDREDCJZUASRURN-UHFFFAOYSA-N
MW334.47 g/mol
LogP1.19
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide

N-[3-(dimethylamino)propyl]-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 53189342) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID53189342
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC NameN-[3-(dimethylamino)propyl]-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCCCN(C)C)CC2)n1
InChIInChI=1S/C17H30N6O/c1-18-17-20-9-5-15(21-17)23-11-6-14(7-12-23)13-16(24)19-8-4-10-22(2)3/h5,9,14H,4,6-8,10-13H2,1-3H3,(H,19,24)(H,18,20,21)
InChIKeyDREDCJZUASRURN-UHFFFAOYSA-N
XLogP1.19
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 53189342) is N-[3-(dimethylamino)propyl]-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is CNc1nccc(N2CCC(CC(=O)NCCCN(C)C)CC2)n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is DREDCJZUASRURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-18-17-20-9-5-15(21-17)23-11-6-14(7-12-23)13-16(24)19-8-4-10-22(2)3/h5,9,14H,4,6-8,10-13H2,1-3H3,(H,19,24)(H,18,20,21).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
N-[3-(dimethylamino)propyl]-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 334.47 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 53189342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).