N-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide

C9H19N3O2 — CID 127574854

IUPACN-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCCCO)CC1
InChIInChI=1S/C9H19N3O2/c1-11-4-6-12(7-5-11)9(14)10-3-2-8-13/h13H,2-8H2,1H3,(H,10,14)
InChIKeyWNJNXVUPTXAHLC-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.67
Rot. Bonds3

About N-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide

N-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide (PubChem CID 127574854) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide
PubChem CID127574854
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCCCO)CC1
InChIInChI=1S/C9H19N3O2/c1-11-4-6-12(7-5-11)9(14)10-3-2-8-13/h13H,2-8H2,1H3,(H,10,14)
InChIKeyWNJNXVUPTXAHLC-UHFFFAOYSA-N
XLogP-0.67
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Hydroxypropyl)-1,3-diazinan-2-one
CID 45088567
N-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 6457939
1-Butyl-3-(3-hydroxypropyl)-1-propylurea
CID 127578321
1-(Tert-butyl)-3-(2-(4-hydroxypiperidin-1-yl)ethyl)urea
CID 76146034
4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 75374952
4-(2-fluoroethyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 121021932
[4-(2-hydroxyethyl)piperazinyl]-N-propylcarboxamide
CID 6459269
N-ethyl-4-(2-hydroxypropyl)piperazine-1-carboxamide
CID 71783484
N-[2-[4-(3-hydroxypropyl)piperazin-1-yl]ethyl]acetamide
CID 10398939
N-(2-Hydroxyethyl)-4-methylpiperazine-1-carboxamide
CID 14084850
N-(2-aminoethyl)-4-hydroxypiperidine-1-carboxamide
CID 17993167
N-(2-aminoethyl)-4-hydroxypiperidine-1-carboxamide;hydrochloride
CID 17993169

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide (CID 127574854) is N-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)NCCCO)CC1.
What is the InChIKey of N-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is WNJNXVUPTXAHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-11-4-6-12(7-5-11)9(14)10-3-2-8-13/h13H,2-8H2,1H3,(H,10,14).
What are the key properties of N-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide?
N-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 201.27 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 127574854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).