(2R)-2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide

C14H29N3O — CID 1439200

IUPAC(2R)-2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@@H](C)N1CCN(C)CC1)C(C)C
InChIInChI=1S/C14H29N3O/c1-11(2)17(12(3)4)14(18)13(5)16-9-7-15(6)8-10-16/h11-13H,7-10H2,1-6H3/t13-/m1/s1
InChIKeyOSMSMJMDMSZFOZ-CYBMUJFWSA-N
MW255.41 g/mol
LogP1.27
Rot. Bonds4

About (2R)-2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide

(2R)-2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide (PubChem CID 1439200) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is (2R)-2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide
PubChem CID1439200
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name(2R)-2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@@H](C)N1CCN(C)CC1)C(C)C
InChIInChI=1S/C14H29N3O/c1-11(2)17(12(3)4)14(18)13(5)16-9-7-15(6)8-10-16/h11-13H,7-10H2,1-6H3/t13-/m1/s1
InChIKeyOSMSMJMDMSZFOZ-CYBMUJFWSA-N
XLogP1.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55430489
(2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 100881377
(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
2-(7-methyl-1,4,7,10-tetrazacyclododec-1-yl)propanoic acid
CID 58654629
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55431745
2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 43252622
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55430660
methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate
CID 78984019
formaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 157498732
N-cyclopropyl-N-ethyl-2-piperazin-1-ylpropanamide
CID 43264445

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide?
The IUPAC name of (2R)-2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide (CID 1439200) is (2R)-2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for (2R)-2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)[C@@H](C)N1CCN(C)CC1)C(C)C.
What is the InChIKey of (2R)-2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide?
The InChIKey is OSMSMJMDMSZFOZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)17(12(3)4)14(18)13(5)16-9-7-15(6)8-10-16/h11-13H,7-10H2,1-6H3/t13-/m1/s1.
What are the key properties of (2R)-2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide?
(2R)-2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 1439200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).