(2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide

C15H21FN4O2 — CID 32721522

IUPAC(2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(N)=O)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C15H21FN4O2/c1-11(14(21)18-15(17)22)20-8-6-19(7-9-20)10-12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H3,17,18,21,22)/t11-/m1/s1
InChIKeyMGQQNSSHSASMSR-LLVKDONJSA-N
MW308.36 g/mol
LogP0.53
Rot. Bonds4

About (2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide

(2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 32721522) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
PubChem CID32721522
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name(2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(N)=O)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C15H21FN4O2/c1-11(14(21)18-15(17)22)20-8-6-19(7-9-20)10-12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H3,17,18,21,22)/t11-/m1/s1
InChIKeyMGQQNSSHSASMSR-LLVKDONJSA-N
XLogP0.53
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 46802310
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720422
(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 30642247
(2S)-N-carbamoyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 30956417
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 9268335
2-[4-(2-aminoethyl)piperazin-1-yl]-N-carbamoylpropanamide
CID 43252611
N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 46653776
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 134045480
(2R)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 32807681
N-[(2-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111113698
(2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047038

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide (CID 32721522) is (2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide is C[C@H](C(=O)NC(N)=O)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of (2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is MGQQNSSHSASMSR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-11(14(21)18-15(17)22)20-8-6-19(7-9-20)10-12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H3,17,18,21,22)/t11-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide?
(2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 308.36 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 32721522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).