N-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide

C12H25N3O2 — CID 97098734

IUPACN-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)N[C@@H](C)COC)CC1
InChIInChI=1S/C12H25N3O2/c1-4-5-14-6-8-15(9-7-14)12(16)13-11(2)10-17-3/h11H,4-10H2,1-3H3,(H,13,16)/t11-/m0/s1
InChIKeyAWEOTQKTZHZJGT-NSHDSACASA-N
MW243.35 g/mol
LogP0.76
Rot. Bonds5

About N-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide

N-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide (PubChem CID 97098734) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide
PubChem CID97098734
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)N[C@@H](C)COC)CC1
InChIInChI=1S/C12H25N3O2/c1-4-5-14-6-8-15(9-7-14)12(16)13-11(2)10-17-3/h11H,4-10H2,1-3H3,(H,13,16)/t11-/m0/s1
InChIKeyAWEOTQKTZHZJGT-NSHDSACASA-N
XLogP0.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-4-propylpiperazine-1-carboxamide
CID 17185062
2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid
CID 61188565
4-[(1R)-1-hydroxyethyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-1-carboxamide
CID 95348703
3-[4-(pentan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61182383
3-[4-(butan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61188640
N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113104323
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
3-[1-(1-methoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62216369
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid
CID 61202561
2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 65048132
5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid
CID 61188919
4-(2-hydroxyethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43501412

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide (CID 97098734) is N-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide is CCCN1CCN(C(=O)N[C@@H](C)COC)CC1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide?
The InChIKey is AWEOTQKTZHZJGT-NSHDSACASA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-5-14-6-8-15(9-7-14)12(16)13-11(2)10-17-3/h11H,4-10H2,1-3H3,(H,13,16)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide?
N-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide is sourced from PubChem (CID 97098734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).