(2S)-1,4-bis(2-chloroprop-2-enyl)-N,N-dimethylpiperazine-2-carboxamide

C13H21Cl2N3O — CID 97325847

IUPAC(2S)-1,4-bis(2-chloroprop-2-enyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESC=C(Cl)CN1CCN(CC(=C)Cl)[C@H](C(=O)N(C)C)C1
InChIInChI=1S/C13H21Cl2N3O/c1-10(14)7-17-5-6-18(8-11(2)15)12(9-17)13(19)16(3)4/h12H,1-2,5-9H2,3-4H3/t12-/m0/s1
InChIKeyPDDVSFWMMJDYHR-LBPRGKRZSA-N
MW306.24 g/mol
LogP1.57
Rot. Bonds5

About (2S)-1,4-bis(2-chloroprop-2-enyl)-N,N-dimethylpiperazine-2-carboxamide

(2S)-1,4-bis(2-chloroprop-2-enyl)-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 97325847) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is (2S)-1,4-bis(2-chloroprop-2-enyl)-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1,4-bis(2-chloroprop-2-enyl)-N,N-dimethylpiperazine-2-carboxamide
PubChem CID97325847
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC Name(2S)-1,4-bis(2-chloroprop-2-enyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESC=C(Cl)CN1CCN(CC(=C)Cl)[C@H](C(=O)N(C)C)C1
InChIInChI=1S/C13H21Cl2N3O/c1-10(14)7-17-5-6-18(8-11(2)15)12(9-17)13(19)16(3)4/h12H,1-2,5-9H2,3-4H3/t12-/m0/s1
InChIKeyPDDVSFWMMJDYHR-LBPRGKRZSA-N
XLogP1.57
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine-2-carboxamide
CID 71852863
(2R)-1,4-bis[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylpiperazine-2-carboxamide
CID 96541554
N,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide
CID 71917635
1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid
CID 13396240
1-(2-chloroprop-2-enyl)-N,N-diethylpiperidine-4-carboxamide
CID 86870567
(2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 97325846
1-(2-chloroprop-2-enyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720909
N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95291109
methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate
CID 71850543
(2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 143294996
N,N-dimethyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 86913220
4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid
CID 130605069

Frequently Asked Questions

What is the IUPAC name of (2S)-1,4-bis(2-chloroprop-2-enyl)-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of (2S)-1,4-bis(2-chloroprop-2-enyl)-N,N-dimethylpiperazine-2-carboxamide (CID 97325847) is (2S)-1,4-bis(2-chloroprop-2-enyl)-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-1,4-bis(2-chloroprop-2-enyl)-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-1,4-bis(2-chloroprop-2-enyl)-N,N-dimethylpiperazine-2-carboxamide is C=C(Cl)CN1CCN(CC(=C)Cl)[C@H](C(=O)N(C)C)C1.
What is the InChIKey of (2S)-1,4-bis(2-chloroprop-2-enyl)-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is PDDVSFWMMJDYHR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21Cl2N3O/c1-10(14)7-17-5-6-18(8-11(2)15)12(9-17)13(19)16(3)4/h12H,1-2,5-9H2,3-4H3/t12-/m0/s1.
What are the key properties of (2S)-1,4-bis(2-chloroprop-2-enyl)-N,N-dimethylpiperazine-2-carboxamide?
(2S)-1,4-bis(2-chloroprop-2-enyl)-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 306.24 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,4-bis(2-chloroprop-2-enyl)-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 97325847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).