(2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one

C19H37N5O — CID 90782046

IUPAC(2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](NC1CCN(C)CC1)C(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C19H37N5O/c1-16(20-17-4-8-21(2)9-5-17)19(25)24-14-12-23(13-15-24)18-6-10-22(3)11-7-18/h16-18,20H,4-15H2,1-3H3/t16-/m1/s1
InChIKeySOYSZWBRYSHTDL-MRXNPFEDSA-N
MW351.54 g/mol
LogP0.30
Rot. Bonds4

About (2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one

(2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 90782046) has the molecular formula C19H37N5O and a molecular weight of 351.54 g/mol. Its IUPAC name is (2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID90782046
Molecular FormulaC19H37N5O
Molecular Weight351.54 g/mol
Exact Mass351.30
IUPAC Name(2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](NC1CCN(C)CC1)C(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C19H37N5O/c1-16(20-17-4-8-21(2)9-5-17)19(25)24-14-12-23(13-15-24)18-6-10-22(3)11-7-18/h16-18,20H,4-15H2,1-3H3/t16-/m1/s1
InChIKeySOYSZWBRYSHTDL-MRXNPFEDSA-N
XLogP0.30
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

2-(S)-Amino-1-piperidin-1-yl-4-(piperidin-4-ylamino)-butan-1-one
CID 9970277
(S)-4-Amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)-butan-1-one
CID 10468265
Piperidinium, 1,1'-(1,4-piperazinediylbis(carbonylethylidene))bis(1-methyl-, diiodide
CID 121528
Piperazine, 1-(1-oxo-2-(1-piperidinyl)propyl)-4-(1-oxo-3-(1-piperidinyl)propyl)-, dihydrochloride
CID 24842221
1,2,3-Tri(piperidin-1-yl)butan-1-one
CID 246948
N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386858
4-(Piperidine-1-carbonyl)-1-piperidin-4-ylpiperazin-2-one
CID 134791220
1,7-Bis(2-oxo-2-(1-piperidinyl)ethyl)-1,4,7,10-tetraazacyclododecane
CID 393890
1-(2-Methylpiperidin-1-yl)-2-(piperazin-1-yl)ethan-1-one
CID 16769652
2-[4-(Methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 50989053
3,6-Bis(piperidin-1-ylmethyl)piperazine-2,5-dione
CID 320052
2-(2-Methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
CID 3226817

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one (CID 90782046) is (2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one is C[C@@H](NC1CCN(C)CC1)C(=O)N1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of (2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is SOYSZWBRYSHTDL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H37N5O/c1-16(20-17-4-8-21(2)9-5-17)19(25)24-14-12-23(13-15-24)18-6-10-22(3)11-7-18/h16-18,20H,4-15H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one?
(2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 351.54 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methylpiperidin-4-yl)amino]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 90782046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).