N-(3-methoxypropyl)-1-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-amine

C19H33N5O — CID 70769900

IUPACN-(3-methoxypropyl)-1-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-amine
SMILESCOCCCN(Cc1cnc(N2CCCC2)nc1)C1CCN(C)CC1
InChIInChI=1S/C19H33N5O/c1-22-11-6-18(7-12-22)24(10-5-13-25-2)16-17-14-20-19(21-15-17)23-8-3-4-9-23/h14-15,18H,3-13,16H2,1-2H3
InChIKeyNWGGUVZPTDGBKO-UHFFFAOYSA-N
MW347.51 g/mol
LogP2.01
Rot. Bonds8

About N-(3-methoxypropyl)-1-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-amine

N-(3-methoxypropyl)-1-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-amine (PubChem CID 70769900) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-amine
PubChem CID70769900
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC NameN-(3-methoxypropyl)-1-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-amine
SMILESCOCCCN(Cc1cnc(N2CCCC2)nc1)C1CCN(C)CC1
InChIInChI=1S/C19H33N5O/c1-22-11-6-18(7-12-22)24(10-5-13-25-2)16-17-14-20-19(21-15-17)23-8-3-4-9-23/h14-15,18H,3-13,16H2,1-2H3
InChIKeyNWGGUVZPTDGBKO-UHFFFAOYSA-N
XLogP2.01
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 52.01
H-Bond Donors ≤ 50
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-methoxypropyl)-1-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-1-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-amine (CID 70769900) is N-(3-methoxypropyl)-1-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-amine is COCCCN(Cc1cnc(N2CCCC2)nc1)C1CCN(C)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-amine?
The InChIKey is NWGGUVZPTDGBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-22-11-6-18(7-12-22)24(10-5-13-25-2)16-17-14-20-19(21-15-17)23-8-3-4-9-23/h14-15,18H,3-13,16H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-1-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-amine?
N-(3-methoxypropyl)-1-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-amine has a molecular weight of 347.51 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 70769900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).