(2R)-1,4-bis[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylpiperazine-2-carboxamide

C17H29N5O3 — CID 96541554

IUPAC(2R)-1,4-bis[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CN(CC(=O)NC2CC2)CCN1CC(=O)NC1CC1
InChIInChI=1S/C17H29N5O3/c1-20(2)17(25)14-9-21(10-15(23)18-12-3-4-12)7-8-22(14)11-16(24)19-13-5-6-13/h12-14H,3-11H2,1-2H3,(H,18,23)(H,19,24)/t14-/m1/s1
InChIKeyJWDKCPPWXZWZBB-CQSZACIVSA-N
MW351.45 g/mol
LogP-1.38
Rot. Bonds7

About (2R)-1,4-bis[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylpiperazine-2-carboxamide

(2R)-1,4-bis[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 96541554) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2R)-1,4-bis[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1,4-bis[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylpiperazine-2-carboxamide
PubChem CID96541554
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Name(2R)-1,4-bis[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CN(CC(=O)NC2CC2)CCN1CC(=O)NC1CC1
InChIInChI=1S/C17H29N5O3/c1-20(2)17(25)14-9-21(10-15(23)18-12-3-4-12)7-8-22(14)11-16(24)19-13-5-6-13/h12-14H,3-11H2,1-2H3,(H,18,23)(H,19,24)/t14-/m1/s1
InChIKeyJWDKCPPWXZWZBB-CQSZACIVSA-N
XLogP-1.38
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[4-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperazin-1-yl]acetamide
CID 78860681
(2S)-1,4-bis(2-chloroprop-2-enyl)-N,N-dimethylpiperazine-2-carboxamide
CID 97325847
N,N-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine-2-carboxamide
CID 71852863
1-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030850
N,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide
CID 71917635
2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-cyclopropylacetamide
CID 51618982
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962419
2-(3-aminopyrrolidin-1-yl)-N-cyclopropylacetamide
CID 62067111
N-cyclopropyl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114502743
N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide
CID 95331862
4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]acetyl]amino]-N,N-dimethylcyclohexane-1-carboxamide
CID 141440293
N-cyclopropyl-2-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]acetamide
CID 95576047

Frequently Asked Questions

What is the IUPAC name of (2R)-1,4-bis[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of (2R)-1,4-bis[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylpiperazine-2-carboxamide (CID 96541554) is (2R)-1,4-bis[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-1,4-bis[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-1,4-bis[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylpiperazine-2-carboxamide is CN(C)C(=O)[C@H]1CN(CC(=O)NC2CC2)CCN1CC(=O)NC1CC1.
What is the InChIKey of (2R)-1,4-bis[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is JWDKCPPWXZWZBB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-20(2)17(25)14-9-21(10-15(23)18-12-3-4-12)7-8-22(14)11-16(24)19-13-5-6-13/h12-14H,3-11H2,1-2H3,(H,18,23)(H,19,24)/t14-/m1/s1.
What are the key properties of (2R)-1,4-bis[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylpiperazine-2-carboxamide?
(2R)-1,4-bis[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of -1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,4-bis[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 96541554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).