(3R)-3-methyl-N-propylpiperazine-1-carboxamide

C9H19N3O — CID 104974924

IUPAC(3R)-3-methyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C9H19N3O/c1-3-4-11-9(13)12-6-5-10-8(2)7-12/h8,10H,3-7H2,1-2H3,(H,11,13)/t8-/m1/s1
InChIKeyREUMNVDLBDJLHD-MRVPVSSYSA-N
MW185.27 g/mol
LogP0.40
Rot. Bonds2

About (3R)-3-methyl-N-propylpiperazine-1-carboxamide

(3R)-3-methyl-N-propylpiperazine-1-carboxamide (PubChem CID 104974924) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (3R)-3-methyl-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-propylpiperazine-1-carboxamide
PubChem CID104974924
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(3R)-3-methyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C9H19N3O/c1-3-4-11-9(13)12-6-5-10-8(2)7-12/h8,10H,3-7H2,1-2H3,(H,11,13)/t8-/m1/s1
InChIKeyREUMNVDLBDJLHD-MRVPVSSYSA-N
XLogP0.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate
CID 165430514
4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide
CID 119579732
N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-1-carboxamide
CID 175748625
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
N-propyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide
CID 54886149
N-ethylpiperazine-1-carboxamide
CID 9207783
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
N-propylmorpholine-4-carboxamide
CID 3410822
4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 23794806
N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 13141783

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-propylpiperazine-1-carboxamide?
The IUPAC name of (3R)-3-methyl-N-propylpiperazine-1-carboxamide (CID 104974924) is (3R)-3-methyl-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for (3R)-3-methyl-N-propylpiperazine-1-carboxamide?
The canonical SMILES for (3R)-3-methyl-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN[C@H](C)C1.
What is the InChIKey of (3R)-3-methyl-N-propylpiperazine-1-carboxamide?
The InChIKey is REUMNVDLBDJLHD-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-4-11-9(13)12-6-5-10-8(2)7-12/h8,10H,3-7H2,1-2H3,(H,11,13)/t8-/m1/s1.
What are the key properties of (3R)-3-methyl-N-propylpiperazine-1-carboxamide?
(3R)-3-methyl-N-propylpiperazine-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 104974924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).