N-[(1S)-2,2-dimethylcyclopropyl]-4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxamide

C13H25N3O2 — CID 154742967

IUPACN-[(1S)-2,2-dimethylcyclopropyl]-4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxamide
SMILESCC1CN(CCO)CCN1C(=O)N[C@H]1CC1(C)C
InChIInChI=1S/C13H25N3O2/c1-10-9-15(6-7-17)4-5-16(10)12(18)14-11-8-13(11,2)3/h10-11,17H,4-9H2,1-3H3,(H,14,18)/t10?,11-/m0/s1
InChIKeyYXVAQAHUBLKMRT-DTIOYNMSSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds3

About N-[(1S)-2,2-dimethylcyclopropyl]-4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxamide

N-[(1S)-2,2-dimethylcyclopropyl]-4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxamide (PubChem CID 154742967) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(1S)-2,2-dimethylcyclopropyl]-4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,2-dimethylcyclopropyl]-4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxamide
PubChem CID154742967
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[(1S)-2,2-dimethylcyclopropyl]-4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxamide
SMILESCC1CN(CCO)CCN1C(=O)N[C@H]1CC1(C)C
InChIInChI=1S/C13H25N3O2/c1-10-9-15(6-7-17)4-5-16(10)12(18)14-11-8-13(11,2)3/h10-11,17H,4-9H2,1-3H3,(H,14,18)/t10?,11-/m0/s1
InChIKeyYXVAQAHUBLKMRT-DTIOYNMSSA-N
XLogP0.49
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2-dimethylcyclopropyl]-4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of N-[(1S)-2,2-dimethylcyclopropyl]-4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxamide (CID 154742967) is N-[(1S)-2,2-dimethylcyclopropyl]-4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-2,2-dimethylcyclopropyl]-4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[(1S)-2,2-dimethylcyclopropyl]-4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxamide is CC1CN(CCO)CCN1C(=O)N[C@H]1CC1(C)C.
What is the InChIKey of N-[(1S)-2,2-dimethylcyclopropyl]-4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is YXVAQAHUBLKMRT-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10-9-15(6-7-17)4-5-16(10)12(18)14-11-8-13(11,2)3/h10-11,17H,4-9H2,1-3H3,(H,14,18)/t10?,11-/m0/s1.
What are the key properties of N-[(1S)-2,2-dimethylcyclopropyl]-4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxamide?
N-[(1S)-2,2-dimethylcyclopropyl]-4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-dimethylcyclopropyl]-4-(2-hydroxyethyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 154742967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).