N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide

C18H29N5O2 — CID 131914565

IUPACN-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
SMILESCC(C)N1CCCC1CNC(=O)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H29N5O2/c1-14(2)23-10-3-5-15(23)13-21-18(24)22-11-6-16(7-12-22)25-17-19-8-4-9-20-17/h4,8-9,14-16H,3,5-7,10-13H2,1-2H3,(H,21,24)
InChIKeyGUMYUYHCGNXPMY-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.90
Rot. Bonds5

About N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide

N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide (PubChem CID 131914565) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
PubChem CID131914565
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
SMILESCC(C)N1CCCC1CNC(=O)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H29N5O2/c1-14(2)23-10-3-5-15(23)13-21-18(24)22-11-6-16(7-12-22)25-17-19-8-4-9-20-17/h4,8-9,14-16H,3,5-7,10-13H2,1-2H3,(H,21,24)
InChIKeyGUMYUYHCGNXPMY-UHFFFAOYSA-N
XLogP1.90
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
The IUPAC name of N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide (CID 131914565) is N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide is CC(C)N1CCCC1CNC(=O)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
The InChIKey is GUMYUYHCGNXPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14(2)23-10-3-5-15(23)13-21-18(24)22-11-6-16(7-12-22)25-17-19-8-4-9-20-17/h4,8-9,14-16H,3,5-7,10-13H2,1-2H3,(H,21,24).
What are the key properties of N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 131914565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).